#
#
This is a two-phase exporter so tex can be handled in SRC blocks while still
being placed in a preamble.
\moderncvstyle{classic}
\definecolor{color1}{RGB}{1, 52, 64}
% change width of the column with the dates
\setlength{\hintscolumnwidth}{2.5cm}To prevent issues with \es we need xspace.
\usepackage{xspace}I prefer this one.
\usepackage{color}
\definecolor{cvhighlight}{RGB}{1, 52, 64}\usepackage{geometry}
\geometry{
a4paper,
%total={210mm,297mm},
%l,r,t used to be 15mm
left=12mm,
right=12mm,
top=13mm,
bottom=13mm,
}
% required when changing page layout lengths
\AtBeginDocument{\recomputelengths}% spacing before (sub)sections
\newcommand{\spacesection}{\vspace{0.4cm}}
\newcommand{\spacesubsection}{\vspace{0.2cm}}\usepackage{xunicode}
\usepackage{xltxtra}\microtypecontext{spacing=nonfrench} % To preserve interword spacing via \nonfrenchspacing.
\SetExtraKerning[unit=space] % These produce more effects, from microtype with kerning.
{encoding={*}, family={bch}, series={*}, size={footnotesize,small,normalsize}}
{\textendash={400,400}, % en-dash, add more space around it
"28={ ,150}, % Left bracket, add space from right
"29={150, }, % Right bracket, add space from left
\textquotedblleft={ ,150}, % Left quotation mark, space from right
\textquotedblright={150, }} % Right quotation mark, space from left
\SetExtraKerning[unit=space]
{encoding={*}, family={qhv}, series={b}, size={large,Large}}
{1={-200,-200},
\textendash={400,400}}
\SetTracking{encoding={*}, shape=sc}{40} % This is for better small caps with tracking and microtype.
\SetProtrusion{encoding={*},family={bch},series={*},size={6,7}} % This enables better optical views.
{1={ ,750},2={ ,500},3={ ,500},4={ ,500},5={ ,500},
6={ ,500},7={ ,600},8={ ,500},9={ ,500},0={ ,500}}Interword spacing is better preserved by using a non-French spacing model. It prevents an extra-wide space from being inserted before certain punctuation marks like colons and semicolons, ensuring a more consistent visual flow.
This command initiates the process of defining custom kerning rules. The
[unit=space] part sets the measurement for the kerning values that follow,
making them relative to the normal interword space.
This specifies that the custom kerning rules will apply to all character
encodings, to the “bch” font family (a common choice), all font series (like
bold or regular), and for a range of font sizes (from footnotesize to
normalsize).
This rule adds extra space around the en-dash (`–`). The values `400,400` mean that 40% of the normal interword space is added to both the left and right sides of the en-dash. This creates a visually distinct separation, which is common in professional typography for ranges (e.g., “10–12”).
This sets a kerning rule for the left parenthesis `(`. It adds a small amount of space (15% of an interword space) to the right of the character. This prevents the following text from appearing too close to the parenthesis.
This sets a kerning rule for the right parenthesis `)`. It adds space to the left of the character, ensuring the preceding text doesn’t look crammed against it.
Similar to the left parenthesis, this adds a small amount of space to the right of the left double quote (`“`), providing a little breathing room for the text that follows.
This adds space to the left of the right double quote (`”`), preventing the quoted text from looking squashed against the punctuation mark.
This command applies “tracking,” which is a uniform adjustment of space between characters. It targets all character encodings and specifically the small caps (`sc`) font shape. The value `40` adds a small amount of space between each letter in small caps, which improves their readability and optical balance, as they often appear too dense without this adjustment.
This command starts the definition of “protrusion” rules. Protrusion allows certain characters to hang slightly into the margins, creating a more visually even line of text. This rule applies to all encodings and font series for the “bch” font family, specifically for font sizes 6 and 7.
This is the list of specific protrusion values for numbers. For example, `1={ ,750}` allows the digit ‘1’ to protrude by 75% of an interword space into the right margin. This is essential for ensuring that columns of numbers in tables or lists have a perfectly straight-looking right edge.
% I like pretty logos
\usepackage{metalogo}
% Widen the letter spacing for logos
\setlogokern{La}{0.2pt}
\setlogokern{Xe}{0.2pt}
\setlogokern{eL}{0.2pt}
\setlogokern{Te}{0.2pt}
\setlogokern{aT}{0.2pt}
\setlogokern{eX}{0.2pt}
% Poaching from Espresso's ug.tex
\newcommand{\es}{\mbox{\textsf{ESPResSo}}\xspace}
% From the upcoming metatensor paper
\newcommand{\metatensor}{\texttt{metatensor}\xspace}
\newcommand{\metatomic}{\texttt{metatomic}\xspace}
\newcommand{\metatrain}{\texttt{metatrain}\xspace}
\newcommand{\cxx}{C\nolinebreak\hspace{-.05em}\raisebox{.4ex}{\tiny\bf +}\nolinebreak\hspace{-.10em}\raisebox{.4ex}{\tiny\bf +}\xspace}% german word break/hyphenation rules that's with ngerman (we use english)
\usepackage[british,UKenglish,USenglish,american]{babel}
% use guilllemets in bibliography (not german.) Also autostyle superceeded babel
\usepackage[autostyle=true]{csquotes}\usepackage{fontspec}
% Minion Pro is used as the main font, if you don't
% have it installed uncomment this line or choose another pretty font.
% Literata is also included.
%\setmainfont[Numbers=OldStyle]{Minion Pro}
\setmainfont[
Path = ../../shared/Fonts/MinionPro/,
Numbers=OldStyle,
Extension = .otf,
UprightFont = *_Regular,
ItalicFont = *_It,
BoldFont = *_Bold,
BoldItalicFont = *_BoldIt
]{MinionPro}
% Myriad Pro is used as the sans font, if you don't
% have it installed uncomment this line or choose another pretty font.
\setsansfont[
Path = ../../shared/Fonts/MyriadPro/,
Numbers=OldStyle,
Extension = .otf,
UprightFont = *_Regular,
ItalicFont = *_It,
BoldFont = *_Bold,
BoldItalicFont = *_BoldIt,
Ligatures=TeX,
Scale=MatchLowercase]{MyriadPro}\usepackage[%
minbibnames=8,%
maxbibnames=99,%
block=space,%
bibencoding=utf8,%
backend=biber,%
url=false,%
isbn=false,%
style=publist,
% plauthor stuff
% plsorting=ydtn, % Somehow not applying, use ddt thorugh \ExecutePublistOptions{plsorting=ddt}
fixyear=true, %
hlyear=true, %
plauthorname=Goswami, %
plauthorfirstname=Rohit, %
plauthorhandling=highlight, %
plnumbering=local-descending, %
]{biblatex}
\bibliography{publications}
% Free-to-read links. Custom datamodel fields `mydoi'/`mypdf' are read by
% biber, mapped onto biblatex usera/userb, and rendered as clickable
% [DOI]/[PDF] markers appended at the end of each bibliography entry.
\DeclareDatamodelFields[type=field,datatype=verbatim]{mypdf,mydoi}
\DeclareDatamodelEntryfields{mypdf,mydoi}
\DeclareSourcemap{
\maps[datatype=bibtex]{
\map{\step[fieldsource=mydoi]\step[fieldset=usera, origfieldval]}
\map{\step[fieldsource=mypdf]\step[fieldset=userb, origfieldval]}
}
}
\DeclareFieldFormat{usera}{\color{cvhighlight}[\href{#1}{\textsc{doi}}]}
\DeclareFieldFormat{userb}{\color{cvhighlight}[\href{#1}{\textsc{pdf}}]}
\renewbibmacro*{finentry}{%
\iffieldundef{userb}{}{\addspace\printfield{userb}}%
\finentry}- [X] The hash needs to be extracted from the
bblfile.
- [ ] Refactor to use the user-data section of named snippets
\usepackage{xpatch}
\usepackage[normalem]{ulem} %for \uline
\newbox\savenamebox
% Actually I don't use the bold version anymore
\newbibmacro*{name:bbold}[2]{%
\def\do##1{\iffieldequalstr{hash}{##1}{\setbox\savenamebox\hbox\bgroup \listbreak}{}}%
% \def\do##1{\iffieldequalstr{hash}{##1}{\bfseries\setbox\savenamebox\hbox\bgroup \listbreak}{}}%
\dolistloop{\boldnames}%
}
\newbibmacro*{name:ebold}[2]{%
\def\do##1{\iffieldequalstr{hash}{##1}{\egroup\uline{\usebox\savenamebox}\listbreak}{}}%
\dolistloop{\boldnames}%
}
\xpatchbibmacro{name:given-family}{\usebibmacro{name:delim}{#2#3#1}}{\usebibmacro{name:delim}{#2#3#1}\begingroup\usebibmacro{name:bbold}{#1}{#2}}{}{}
%\xpretobibmacro{name:given-family}{\begingroup\usebibmacro{name:bbold}{#1}{#2}}{}{}
\xapptobibmacro{name:delim}{\begingroup\normalfont}{}{}
\xapptobibmacro{name:given-family}{\usebibmacro{name:ebold}{#1}{#2}\endgroup}{}{}
\xapptobibmacro{name:delim}{\endgroup}{}{}
% Hash in the bbl file
\newcommand*{\boldnames}{}
\forcsvlist{\listadd\boldnames}{
{0777a94fb5d43a9efe6c5aa525bcd0a8}, % InBold
{f695e364a633e61d21101f4f462d9373}, % Also me
}
% get rid of the number-labels ([1], [2], etc.) in front of publications
\defbibenvironment{midbib}
{\list
{}
{
\setlength{\leftmargin}{0mm}
\setlength{\itemindent}{-\leftmargin}
\setlength{\itemsep}{\bibitemsep}
\setlength{\parsep}{\bibparsep}}
}
{\endlist}
{\item}
% add [DOI] and [PDF] fields at the end of each publication entry
\DeclareSourcemap{
\maps[datatype=bibtex]{
% the bibtex entry 'mydoi' gets mapped to 'usera'
\map{
\step[fieldsource=mydoi]
\step[fieldset=usera, origfieldval]
}
% the bibtex entry 'mypdf' gets mapped to 'usera'
\map{
\step[fieldsource=mypdf]
\step[fieldset=userb, origfieldval]
}
}
}
% [DOI] entries in publication
\DeclareFieldFormat{usera}{\color{cvhighlight}[\href{#1}{\textsc{doi}}]}
\AtEveryBibitem{
% put [DOI] stuff at the end of a publication entry
\csappto{blx@bbx@\thefield{entrytype}}{%
\iffieldundef{usera}{
% this gets invoked, once nothing is supplied
% via the mypdf or mydoi value.
% you could e.g. display a default thing here.
}{\space\printfield{usera}}}
}
% [PDF] entries in publication
\DeclareFieldFormat{userb}{\color{cvhighlight}[\href{#1}{\textsc{pdf}}]}
\AtEveryBibitem{
% put [DOI] stuff at the end of a publication entry
\csappto{blx@bbx@\thefield{entrytype}}{\iffieldundef{userb}{}{\printfield{userb}}}
}
\renewcommand*{\mkbibnamegiven}[1]{%
\ifitemannotation{highlight}
{\textbf{#1}}
{#1}}
\renewcommand*{\mkbibnamefamily}[1]{%
\ifitemannotation{highlight}
{\textbf{#1}}
{#1}
}
\firstname{Rohit}
\familyname{Goswami}
% I use the extrainfo command for additional information, since I
% want to use custom icons and have finer control over spacing.
\extrainfo{
% \faPhone\hspace{0.3em}\href{tel:919935135006}{\ttfamily +91 9935135006}\\
{\small\faEnvelope}\hspace{0.3em}\href{mailto:rgoswami@ieee.org}{\ttfamily rgoswami@ieee.org}\\
{\small\faGithub}\hspace{0.3em}\href{https://github.com/haozeke}{\ttfamily haozeke}\\
{\small\faTwitter}\hspace{0.3em}\href{https://twitter.com/rg0swami}{\ttfamily rg0swami}\\
\faGlobe\hspace{0.3em}\href{https://sh.turtletech.us/rghome}{\ttfamily rgoswami.me}
}
% the moderncv package will populate a lot of the pdf meta-information.
% this can be used to change some of these infos.
\AfterPreamble{\hypersetup{
pdfcreator={XeLaTeX},
pdftitle={Rohit Goswami's CV}
}}% picture, resized to a height of 84pt
\photo[84pt]{../../shared/Picture/rohit}\quote{``An unproblematic state is a state without creative thought. It's other name is Death.''\\-- David Deutsch}Finally we tangle everything together and export once.
<<moderncv_theme>>
<<xspace>>
<<color>>
<<font_kerning>>
<<geometry>>
<<unicode_fonts>>
<<logos>>
<<spelling>>
<<biblio>>
<<xelatex_fonts>>
<<author_quote>>
<<author_deets>>
<<author_pic>>
<<spacing>>Which can be included once and for all.
The rest of the document is written within the begin{document} environment.
numpy and f2py to provide holistic maintenance.
Worked with Prof. Hannes Jónsson on Bayesian analysis and machine learning for ab-inito quantum chemistry; partially employed on the EU funded “ReaxPro” project for potential energy surface saddle search acceleration.
I was affiliated to the Femtolab under the project “Femtosecond Laser Approaches to Quantum Information and Quantum Computation”.
I was associated with the Computational Nanoscience group. Over the course of two centrally funded projects, “Nucleation On Nanostructured Surfaces Computer Simulation Studies (SPO/DST/CHE/2017294)” and “Advanced Computation Research and Education (SPO/MHRD/CC/20130176)”.
Thesis: “Efficient Exploration of Chemical Kinetics”. Supervised by Prof. Hannes Jónsson with Prof. Birgir Hrafnkelsson as co-supervisor.
First Division (\textsc{Project: } Gas Sweetening Plant Design)
87.2% Central Board of Secondary Education (CBSE)
9.8 Cumulative Grade Point Average (CGPA) in Central Board of Secondary Education (CBSE)
I administered the setup of a nix based software management module system.
I was a co-admin for the entire raft of GSoC applications.
Virtual session chair for the DCOP session Computational Physics III: Modeling Molecules and Materials
I mentored a grad student on best practice visualizations for reproducible graphs with R
Partially responsible for drafting the IEEE Standard for Neural Network Architecture Schema
Under the Python Software Foundation, mentored and arranged for a Google Summer of Code intern to work on Python bindings to d-SEAMS.
Partially responsible for handling reproducibility for the 52\textsuperscript{nd} International Conference on Parallel Processing
Virtual session chair for the DCOP session GG05 on Electrons, Phonons, Electron-Phonon Scattering and Phononics I
Part of the proceedings committee tasked with handling, reviewing, updating the infrastructure to edit the proceedings of Scipy 2023
Am actively involved in supporting the work on drafting the IEEE Standard for Endocrine Disrupting Chemical Hazard Labelling
I mentored a student for working on the F2PY frontend
I (co-)mentored students working on the Abstract Semantic Representation of LFortran
As part of the nomination committee, along with the past chair and other members, am responsible for validating and selecting nominees for the ballots of FGSA’s elections
As a member of the editorial board; it is my pleasurable responsibility to provide guidance to the journalists and support my fellow editors in upholding the standards of the student paper of the University; published since 1943
Will provide guidance to a group of five students who are to work towards packaging NLNet packages
Worked on implementing compile time intrinsic functions and also other front and middle end tasks towards a minimum viable product which compiles production computational chemistry codebases
Am responsible for overseeing the preparation of all drafts of YPC publications as well as appointing subcommittee positions in coordination with the Chair.
Was tasked with facilitating the formation of task forces/committees as appropriate to accomplish desired project outcomes; in particular with a focus on improving recognition for community contributions
Was tasked with a long project extending the existing documentation and setting up tests and websites for the Symengine project
Have administered the TUG Zulip and coordinated social activities (including Topia) from the first online TUG, the 41st in 2020 and continuing to support the committee in subsequent interactions
Was tasked with managing the publications committee web resources
Was actively engaged in working with stake holders in industry and academia to create a collection of standard profiles that define integration of authentication services with ISO 8583 used for financial transactions
As a maintainer for the Software Carpentries lesson on R, I work with the community to make sure that lessons stay up-to-date, accurate, functional and cohesive
Working for an international conference with diverse leads from across the world, as part of the program committee I reached out to keynote speakers and managed the overall schedule. Wrote content with the website subcommittee and also contributed due to my web development expertise
Tested course-content and developed interactive labs to work with an online cohort of students. Am presently teaching labs and mentoring small batches. I also work with the front and backend teams to facilitate workflows including shopify stores and NodeJS authentication systems
Have worked with student bodies to rescue and care for local animals. Also designed and maintained a site with ReactJS to enhance knowledge dissemination
6 credit undergraduate and graduate course for software engineering best practices.
6 credit undergraduate and graduate introductory course on supervised and unsupervised learning.
R workshop focused on frequentist statistical inference used for experimental analysis and design.
Overview of web design, development and implementation focusing on technologies useful to the working physicist like SSGs and referencing frameworks
As a returning section leader for the ~code-in-place~ initiative, I was given the additional honor of being a mentor to the first time section leaders for this unique course. Also delivered a Nix workshop for the SLs.
Intensive C++ workshop which covered augmenting existing code with Python bindings and using a build automation tool (CMake) along with continuous integration.
R workshop focused on tidy data.
10 hour long workshop which taught the fundamentals of version control and collaboration using git, with some introductory coverage of more advanced topics like rebases.
6 hours on R practices, with a focus on how base-R gives way to tidy forms of data and the tidyverse.
15 hour long summer course for high school students and undergrads on the basics of computational chemistry.
Taught the basics of R, OpenRefine, and some data wrangling to graduate students in the social sciences over three days.
Taught the basics of Python and assisted with shell lessons for high school students over three days, with a follow up mentoring program.
As part of the special COVID-19 ~code-in-place~ initiative, I worked as a section leader (teaching assistant). The course covered the fundamentals of computer programming using Python and was built off the first half of CS106A. Also moderated and participated in an AMA session on “Machine Learning for the Physical Sciences” and taught a workshop for the other section leaders entitled “Functional Python Packaging with Nix”
Also part of the SIGHPC (Special Interest Group for High Performance Computing) & SIGHPC-Education
Nonlinear-Optics Session
Amount: 6650 thousand ISK
\textsc{Title: }Magnetic interactions of itinerant electrons modeled using Bayesian machine learning.
Amount: 575,000 EUR
Funding generated for the COST action CA24106, also part of the Management Committee (Iceland).
Amount: 6,000 USD
Funding generated to mentor a first time code contributor writing Python bindings for d-SEAMS.
Amount: 10,000 USD
Compiling SciPy’s Fortran packages with LFortran.
Amount: 10,000 USD
Funding generated to hire a technical writer full-time for two months.
Amount: 4,600 USD
Compiling SciPy with LFortran.
Presented at APS April Meeting 2024.
Authors: \underline{R. Goswami}, S. Goswami, and D. Goswami
Presented at APS March Meeting 2024.
Authors: \underline{R. Goswami}, R. S., A. Goswami, S. Goswami, and D. Goswami
Presented at APS March Meeting 2023.
Authors: \underline{R. Goswami}, R. S.
Presented at SciPyCon 2022.
Author: \underline{R. Goswami}
Presented at SciPyCon 2022.
Authors: O. Čertík, B. Beckman, N. Gera, S. Lunagariya, G. Singh, \underline{R. Goswami}, T. Shaktivel, and D. Edwards
Presented at ACS Spring 2020 National Meeting.
Authors: \underline{R. Goswami}, A. K. Rawat, D. Chakrabarty, and D. Goswami
Presented at IEEE WRAP-2019.
Authors: \underline{R. Goswami}, A. Goswami, and D. Goswami
Presented at URSI Asia-Pacific Radio Science Conference (AP-RASC 2019).
Authors: \underline{R. Goswami}, A. Goswami, and D. Goswami
Presented at Photonics-2018.
Authors: \underline{R. Goswami}, A. Goswami, and D. Goswami
Presented at ACS Fall 2025.
Author: \underline{R. Goswami}
Presented at Psi-K 2025.
Authors: Miha Gunde, and \underline{R. Goswami}
Presented at Kernel aKMC Conference 2025.
Author: \underline{R. Goswami}
Presented at Machine Learning in Chemical and Materials Sciences 2025.
Author: \underline{R. Goswami}
Presented at APS Global Physics Summit 2025.
Author: \underline{R. Goswami}
Presented at ACS Fall 2024.
Authors: \underline{R. Goswami}, R. S., S. Goswami, and D. Goswami
Presented at CECAM-LTS-MAP: Long time multi-scale simulations of activated events.
Author: \underline{R. Goswami}
Presented at Machine Learning in Chemical and Materials Sciences 2024.
Author: \underline{R. Goswami}
Presented at APS April Meeting 2024.
Authors: \underline{R. Goswami}, R. S., and A. Goswami
Presented at APS March Meeting 2024.
Author: \underline{R. Goswami}
Presented at 14\textsuperscript{th} Icelandic HPC Community Workshop.
Author: \underline{R. Goswami}
Presented at CECAM-ESL: Advancing the Molecular Paradigm.
Author: \underline{R. Goswami}
Presented at IPAM TMRC2 (Tensor Methods Reunion Conference).
Author: \underline{R. Goswami}
Presented at APS April Meeting 2023.
Authors: \underline{R. Goswami}, O. Čertík, J. E. Pask, I. Fernando, L. A. Collins, G. Manzini, N. Sukumar, and J. Vackář
Presented at APS March Meeting 2023.
Author: \underline{R. Goswami}
Presented at APS March Meeting 2023.
Authors: \underline{R. Goswami}, S. Goswami and D. Goswami
Reproducible engines and interfaces on heterogeneous compute resources for structural analysis of deformed systems
- Neural Networks and Deep Learning - **100.0%**
- Improving Deep Neural Networks: Hyperparameter tuning, Regularization and Optimization - **99.2%**
- Structuring Machine Learning Projects - **98.3%**
- Convolutional Neural Networks - **100.0%**
- Sequence Models - **100.0%**
WAIT update cvitem when https://gitlab.com/Titan-C/org-cv/-/issues/18 is closed
Will eventually be useful for the HTML export
Even in LaTeX perhaps
Even in LaTeX perhaps
These sections do not appear in the full CV export. They tangle LaTeX bodies
and thin org drivers under build/<variant>/. Edit facts here once; re-tangle
to refresh every short variant.
Email: rgoswami@ieee.org. Web: rgoswami.me. GitHub: haozeke / HaoZeke. Scholar: https://scholar.google.com/citations?hl=en&user=36gIdJMAAAAJ
\usepackage{rgcv-bib}
\bibliography{publications}\usepackage{xspace}
\usepackage[british]{babel}
\usepackage[autostyle=true]{csquotes}
\usepackage{enumitem}
\setlist[itemize]{nosep, leftmargin=1.5em}<<twopage_biblio>>
<<twopage_extra>>\lastupdated
\namesection{Rohit}{Goswami}{
Ph.D., MInstP MRSC MBCS \\
\href{mailto:rgoswami@ieee.org}{rgoswami@ieee.org}
\textbullet{} \href{https://rgoswami.me}{rgoswami.me}
\textbullet{} \href{https://github.com/haozeke}{github.com/haozeke}
\textbullet{} \href{https://scholar.google.com/citations?hl=en&user=36gIdJMAAAAJ}{Google Scholar}
}
\section{Work Experience}
\runsubsection{Lab COSMO, EPFL}
\descript{| Systems Specialist (Postdoctoral Researcher)}
\location{2025 -- Present | Lausanne, Switzerland}
\begin{itemize}
\item Developing the \texttt{metatensor} ecosystem for interoperable atomistic machine learning with Prof. Michele Ceriotti and Dr. Guillaume Fraux
\item Integration of machine learning potentials with GROMACS; DLPack support for zero-copy tensor interoperability across C++, Python, Rust, and Fortran
\end{itemize}
\sectionspace
\runsubsection{Queen's University}
\descript{| Visiting Researcher}
\location{2025 | Kingston, Canada}
\begin{itemize}
\item Scaling off-lattice / object kinetic Monte Carlo to over a million atoms for radiation damage modeling with Prof. Laurent B\'{e}land
\end{itemize}
\sectionspace
\runsubsection{University of Iceland}
\descript{| Doctoral Researcher (Rann\'{i}s Doctoral Grant PI)}
\location{2019 -- 2024 | Reykjav\'{i}k, Iceland}
\begin{itemize}
\item Principal investigator: ``Magnetic interactions of itinerant electrons modeled using Bayesian machine learning'' (Rann\'{i}s Research Fund)
\item Developed Gaussian process accelerated saddle point search methods (climbing image NEB, dimer) with adaptive pruning
\item Bayesian hierarchical models for quantitative benchmarking of saddle search algorithms
\end{itemize}
\sectionspace
\runsubsection{Quansight Labs}
\descript{| Software Engineer II}
\location{2021 -- 2025 | Remote (Austin, TX)}
\begin{itemize}
\item Maintained \texttt{f2py} (NumPy's Fortran-to-Python interface) and foundational FOSS scientific codebases
\item Contributed to \texttt{scipy}, \texttt{meson-python}, and \texttt{LFortran} compiler development
\end{itemize}
\sectionspace
\runsubsection{IIT Kanpur}
\descript{| Senior Project Associate / Project Associate}
\location{2018 -- 2020 | Kanpur, India}
\begin{itemize}
\item Computational nanoscience group: ice nucleation analysis (CHILL+), GPU-accelerated MD tools; created \texttt{d-SEAMS}
\item Femtolab: femtosecond laser approaches to quantum information and computation
\end{itemize}
\section{Education}
\runsubsection{University of Iceland}
\descript{| Ph.D. Physical Sciences}
\location{2019 -- 2025 | Reykjav\'{i}k, Iceland}
Thesis: ``Efficient Exploration of Chemical Kinetics''. Supervised by Prof. Hannes J\'{o}nsson.
\sectionspace
\runsubsection{HBTU Kanpur}
\descript{| B.Tech. Chemical Engineering}
\location{2014 -- 2018 | Kanpur, India}
First Division.
\section{Selected Publications}
\nocite{goswamiEfficientImplementationGaussian2025a,bigiMetatensorMetatomicFoundational2025,Goswami2020,stateOfFortran2022,goswamiAdaptivePruningOA2025,sallermannFlowyHighPerformance2025,goswamiBayesianHierarchicalModels2025,goswamiCompositionalAnalysisFragrance2025,goswamiTwodimensionalRMSDProjections2026}
\printbibliography[heading=none, keyword=selected]
\section{Grants and Awards}
\runsubsection{COST Action CA23158 Co-Proposer}
\descript{| 575k EUR, 2025--2029}
European Cooperation in Science and Technology network proposal.
\sectionspace
\runsubsection{Rann\'{i}s Doctoral Research Grant}
\descript{| 6650k ISK, 2020--2023}
Icelandic Research Fund grant as PI for Bayesian ML applied to saddle point searches.
\sectionspace
\runsubsection{NumFOCUS Small Development Grant}
\descript{| \$5000 USD, 2020}
For \texttt{d-SEAMS} molecular simulation analysis engine.
\sectionspace
\runsubsection{Springer Best Student Paper Award}
\descript{| Photonics 2016}
\section{Selected Service}
\begin{itemize}
\item \textbf{JOSS Editor} (2024--present) -- Journal of Open Source Software, topic editor
\item \textbf{NumFOCUS GSoC Admin} (2024--present) -- Coordinating Google Summer of Code across NumFOCUS projects
\item \textbf{IEEE P3173 Vice Chair} (2022--present) -- Standard for Endocrine Disrupting Chemical Hazard Labelling
\item \textbf{Nordic-RSE} -- Board Member; founding Secretary of the Nordic Research Software Engineers association
\item \textbf{IHPC Consultant} (2021--2024) -- Simulation and Data Lab Computational Chemistry, National HPC center of Iceland
\item \textbf{Reviewer}: Nature Comms, PRL, PRA, PRE, JOSS (80+), PLOS ONE, IOP journals, PeerJ
\end{itemize}
\section{Selected Presentations}
\begin{itemize}
\item \textbf{ACS Fall 2025} -- ``Managing concurrency for high throughput adaptive kinetic Monte Carlo'' (Washington, DC)
\item \textbf{Psi-k 2025} -- ``Advocating for standardized APIs for common procedures'' (Liverpool, UK)
\item \textbf{Kernel aKMC 2025} -- ``Towards a million atoms and a thousand KMC steps a day'' (Queen's, Canada)
\item \textbf{APS Global Physics Summit 2025} -- ``Contending with concurrency across programming languages'' (Anaheim, CA)
\item \textbf{CECAM-LTS-MAP 2024} -- ``Accelerating Saddle Searches with Gaussian Process Regression'' (Invited, Lausanne)
\item \textbf{IPAM TMRC2 2023} -- ``Computational Chemistry and Possible Tensor Applications'' (Invited, UCLA)
\item \textbf{14th Icelandic HPC Workshop 2024} -- ``Scaling workflows from development to HPC''
\end{itemize}
\section{Open Source Software}
\begin{itemize}
\item \textbf{HiGHS / SciPy} (contributor) -- Added meson build to HiGHS (Beale--Orchard-Hays Prize LP/MIP solver), built \texttt{highspy} bindings, integrated into SciPy \texttt{linprog}/\texttt{milp}. Initiated PRIMA integration.
\item \textbf{OpenBLAS} (contributor) -- Ported to meson, added to WrapDB with LAPACK support. Default BLAS/LAPACK for NumPy/SciPy.
\item \textbf{eOn} (lead maintainer) -- Long timescale dynamics: RPC architecture, GP saddle searches, Hessian CI-NEB, ML potentials
\item \textbf{f2py / NumPy} (maintainer) -- Fortran-to-Python interface generator; meson backend, derived type support
\item \textbf{ASV} (co-maintainer) -- Airspeed Velocity: Python benchmarking tool; runner refactor, release management
\item \textbf{d-SEAMS} (co-creator) -- Molecular trajectory analysis engine (JCIM 2020, NumFOCUS funded)
\item \textbf{metatensor} (contributor) -- Atomistic ML data format; DLPack, device-aware execution, Rust core
\item \textbf{flowy} (contributor) -- Probabilistic lava emplacement prediction, 400x speedup (CPC 2025)
\end{itemize}
\section{Technical Skills}
\skillsection{HPC}{LAMMPS, GROMACS, MPI, CUDA, Nix, Spack, EasyBuild, Slurm, containers (Docker/Singularity)}
\skillsection{Languages}{C++, Python, Fortran, Rust, R, Julia, Shell}
\skillsection{Tools}{CMake, Meson, Git, CI/CD (GitHub Actions, Azure), \LaTeX, Emacs}
\skillsection{ML/Data}{PyTorch, scikit-learn, GPy, Stan, Bayesian optimization, Gaussian processes}
\section{Professional Memberships}
IOP (MInstP) \textbullet{} RSC (MRSC) \textbullet{} BCS (MBCS) \textbullet{} ACM \textbullet{} APS \textbullet{} IEEE \textbullet{} AIChE#+AUTHOR: Rohit Goswami
#+email: rgoswami@ieee.org
#+options: tags:nil title:nil toc:nil num:nil author:nil date:nil
#+LATEX_COMPILER: xelatex
#+LATEX_CLASS: rgcv-twopage
#+LATEX_HEADER: \input{preamble.tex}
* Document :ignore:ignoreheading:
#+begin_export latex
\input{body.tex}
#+end_export
\usepackage{rgcv-bib}
\bibliography{publications}<<onepage_biblio>>\lastupdated
\namesection{Rohit}{Goswami}{
\urlstyle{same}\url{https://rgoswami.me} \\
\href{mailto:rgoswami@ieee.org}{rgoswami@ieee.org} | \href{https://github.com/haozeke}{github.com/haozeke} | \href{https://scholar.google.com/citations?hl=en&user=36gIdJMAAAAJ}{Google Scholar}
}
\begin{minipage}[t]{0.36\textwidth}
\section{Education}
\subsection{University of Iceland}
\descript{Ph.D. Physical Sciences}
\location{2019 -- 2025 | Reykjav\'{i}k, Iceland}
\location{Bayesian ML for magnetic interactions}
\sectionspace
\subsection{HBTU Kanpur}
\descript{B.Tech. in Chemical Engineering}
\location{2018 | Kanpur, India}
\location{First Division}
\sectionspace
\subsection{DPS Kalyanpur}
\descript{Intermediate (AISSCE)}
\location{May 2013 | Kanpur, India}
\location{CBSE, 87.2\%}
\descript{High School (AISSE)}
\location{May 2011 | Kanpur, India}
\location{CBSE, CGPA 9.8}
\vspace{-5pt}
\section{Memberships}
\subsection{Current}
\textbf{APS}, \textbf{2015}, Early Career\\
\textbf{IEEE}, \textbf{2015}, Early Career\\
\textbf{IOP}, \textbf{2015}, Member (MInstP)\\
\textbf{AIChE}, \textbf{2015}, Young Professional\\
\textbf{ACM}, \textbf{2019}, Professional \\
\textbf{RSC}, \textbf{2022}, Member (MRSC)\\
\textbf{BCS}, \textbf{2022}, Professional (MBCS)
\vspace{-5pt}
\section{Skills}
\subsection{Simulation}
LAMMPS \textbullet{} ORCA \textbullet{} AiiDA \textbullet{} OVITO \textbullet{} ESPResSoMD \textbullet{} GROMACS \textbullet{} VMD \textbullet{} CMake\\
\subsection{Created}
d-SEAMS \textbullet{} wailord \textbullet{} fastMatMR \textbullet{} zenYoda \textbullet{} docuYoda\\
\subsection{Programming}
C++ \textbullet{} Python \textbullet{} R \textbullet{} Fortran \textbullet{} Rust \textbullet{} Julia \textbullet{} Shell \textbullet{} \LaTeX \textbullet{} Nix \textbullet{} JS \textbullet{} CUDA
\end{minipage}
\hfill
\begin{minipage}[t]{0.63\textwidth}
\section{Experience}
\runsubsection{Lab COSMO, EPFL}
\descript{| Systems Specialist (Postdoc)}
\location{2025 -- Present | Lausanne, Switzerland}
\vspace{\topsep}
Working with Prof. Michele Ceriotti and Dr. Guillaume Fraux on the \texttt{metatensor} ecosystem for interoperable atomistic machine learning, including GROMACS integration and DLPack support.
\sectionspace
\runsubsection{Queen's University}
\descript{| Visiting Researcher}
\location{2025 | Kingston, Canada}
Scaling off-lattice kinetic monte carlo to over a million atoms with Prof. Laurent B\'{e}land.
\sectionspace
\runsubsection{University of Iceland}
\descript{| Doctoral Researcher}
\location{2019 -- 2024 | Reykjav\'{i}k, Iceland}
Rann\'{i}s Doctoral Grant PI: Bayesian ML for saddle point searches on potential energy surfaces. Supervised by Prof. Hannes J\'{o}nsson.
\sectionspace
\runsubsection{Quansight Labs}
\descript{| Software Engineer II}
\location{2021 -- 2025 | Remote}
Maintained \texttt{f2py} (NumPy) and foundational FOSS scientific codebases.
\sectionspace
\runsubsection{IIT Kanpur}
\descript{| Senior Project Associate / Project Associate}
\location{2018 -- 2020 | Kanpur, India}
\vspace{\topsep}
\begin{tightitemize}
\item Computational nanoscience: ice structure analysis (CHILL+), GPU-accelerated MD tools
\item Femtolab: quantum information and computation with ultrafast lasers
\end{tightitemize}
\sectionspace
\section{Publications}
\runsubsection{Selected}
\descript{| JOSS Editor (2024--present)}
\nocite{goswamiEfficientImplementationGaussian2025a,bigiMetatensorMetatomicFoundational2025,Goswami2020}
\printbibliography[heading=none, keyword=selected]
\section{Selected Service \& Awards}
{\small
\begin{tightitemize}
\item \textbf{JOSS Editor} (2024--present); \textbf{NumFOCUS GSoC Admin} (2024--present)
\item \textbf{IEEE P3173 Vice Chair}; \textbf{Nordic-RSE} Board, founding Secretary
\item \textbf{COST Action Co-Proposer} (575k EUR, 2025--2029); \textbf{Rann\'{i}s Doctoral Grant} (6650k ISK)
\item \textbf{Reviewer}: Nature Comms, PRL, PRA, PRE, JOSS (80+), PLOS ONE, IOP, PeerJ
\item \textbf{Teaching}: Stanford CS106A, The Carpentries, University of Iceland
\end{tightitemize}
}
\end{minipage}#+AUTHOR: Rohit Goswami
#+email: rgoswami@ieee.org
#+options: tags:nil title:nil toc:nil num:nil author:nil date:nil
#+LATEX_COMPILER: xelatex
#+LATEX_CLASS: rgcv-onepage
#+LATEX_HEADER: \input{preamble.tex}
* Document :ignore:ignoreheading:
#+begin_export latex
\input{body.tex}
#+end_export
\usepackage[a4paper,left=12mm,right=12mm,top=10mm,bottom=11mm]{geometry}
\usepackage{xcolor}
\usepackage{fontspec}
\usepackage{enumitem}
\usepackage{tabularx}
\usepackage{array}
\usepackage{titlesec}
\usepackage{microtype}
\usepackage{hyperref}
\usepackage[autostyle=true]{csquotes}
\usepackage[british]{babel}
\definecolor{cvInk}{RGB}{30, 32, 34}
\definecolor{cvMuted}{RGB}{92, 96, 101}
\definecolor{cvTeal}{RGB}{0, 87, 96}
\definecolor{cvCoral}{RGB}{171, 72, 54}
\definecolor{cvGold}{RGB}{173, 126, 31}
\definecolor{cvRule}{RGB}{214, 218, 219}
\definecolor{cvTint}{RGB}{244, 248, 248}
\setmainfont[
Path = ../../shared/Fonts/MinionPro/,
Extension = .otf,
UprightFont = *_Regular,
ItalicFont = *_It,
BoldFont = *_Bold,
BoldItalicFont = *_BoldIt,
Ligatures=TeX]{MinionPro}
\setsansfont[
Path = ../../shared/Fonts/MyriadPro/,
Extension = .otf,
UprightFont = *_Regular,
ItalicFont = *_It,
BoldFont = *_Bold,
BoldItalicFont = *_BoldIt,
Ligatures=TeX,
Scale=MatchLowercase]{MyriadPro}
\hypersetup{
pdfcreator={XeLaTeX},
pdftitle={Rohit Goswami Three-Page Grant CV},
pdfauthor={Rohit Goswami},
colorlinks=true,
urlcolor=cvTeal,
linkcolor=cvTeal,
citecolor=cvTeal
}
\pagestyle{empty}
\setlength{\parindent}{0pt}
\setlength{\parskip}{0.14em}
\setlength{\tabcolsep}{0pt}
\renewcommand{\arraystretch}{1.08}
\setlist[itemize]{nosep,leftmargin=1.15em,label=\textcolor{cvTeal}{\raisebox{0.15ex}{\scriptsize\textbullet}}}
\AtBeginDocument{\color{cvInk}\fontsize{9.35pt}{10.75pt}\selectfont}
\titleformat{\section}
{\sffamily\bfseries\large\color{cvTeal}}
{}{0pt}{\MakeUppercase}[\vspace{-0.35em}{\color{cvRule}\titlerule}]
\titlespacing*{\section}{0pt}{0.72em}{0.35em}
\titleformat{\subsection}
{\sffamily\bfseries\normalsize\color{cvCoral}}
{}{0pt}{}
\titlespacing*{\subsection}{0pt}{0.35em}{0.12em}
\newcommand{\headerline}[1]{{\sffamily\color{cvMuted}\fontsize{9.2pt}{10.4pt}\selectfont #1}}
\newcommand{\cvtag}[1]{%
{\sffamily\bfseries\scriptsize\color{cvTeal}\MakeUppercase{#1}}}
\newcommand{\grantquote}[1]{%
{\color{cvMuted}\itshape\fontsize{8.9pt}{10.2pt}\selectfont #1}}
\newcommand{\metric}[2]{%
{\sffamily\bfseries\color{cvCoral}#1}{\sffamily\color{cvMuted}\ #2}}
\newcommand{\entry}[4]{%
\textbf{#1}\hfill{\sffamily\small\color{cvMuted}#2}\\[-0.08em]%
{\sffamily\small\color{cvMuted}#3}\\[-0.08em]%
#4\par\vspace{0.28em}}
\newcommand{\compactentry}[3]{%
\textbf{#1}\hfill{\sffamily\small\color{cvMuted}#2}\\[-0.08em]%
#3\par\vspace{0.22em}}
\newcommand{\fitline}[3]{%
\textbf{\color{cvTeal}#1} & \textbf{#2} & #3\\[0.18em]}
\newcommand{\paper}[4]{%
\textbf{#1} \hfill {\sffamily\small\color{cvMuted}#2}\\[-0.08em]
#3{\if\relax\detokenize{#4}\relax\else\ {\color{cvTeal}#4}\fi}\par\vspace{0.24em}}
\newcommand{\publine}[3]{%
{\fontsize{8.7pt}{10.0pt}\selectfont \textbf{#1}\ {\sffamily\color{cvMuted}#2.}{\if\relax\detokenize{#3}\relax\else\ {\color{cvTeal}#3}\fi}\par}\vspace{0.12em}}
\newcommand{\skillline}[2]{%
\textbf{\color{cvTeal}#1:} #2\par}
\newcommand{\pagerule}{\vspace{0.25em}{\color{cvRule}\hrule height 0.45pt}\vspace{0.45em}}<<grant_preamble>>\begin{minipage}[t]{0.67\textwidth}
{\sffamily\bfseries\fontsize{28pt}{30pt}\selectfont Rohit Goswami}\\[-0.12em]
{\sffamily\bfseries\large\color{cvTeal}Computational chemical kinetics, atomistic ML, rare events, and scientific software}\\[-0.05em]
\headerline{\href{mailto:rgoswami@ieee.org}{rgoswami@ieee.org} \textbullet{} \href{https://research.rgoswami.me}{research.rgoswami.me} \textbullet{} \href{https://github.com/HaoZeke}{github.com/HaoZeke} \textbullet{} Iceland}
\end{minipage}
\hfill
\begin{minipage}[t]{0.28\textwidth}
\raggedleft
\grantquote{``An unproblematic state is a state without creative thought. It's other name is Death.''\\-- David Deutsch}
\end{minipage}
\pagerule
\section{Research Profile}
Researcher and scientific-software engineer working on Gaussian-process saddle point searches, machine-learned interatomic potentials, adaptive kinetic Monte Carlo, and reproducible HPC workflows for the long-time kinetics of activated processes.
\vspace{0.22em}
\begin{tabularx}{\textwidth}{>{\raggedright\arraybackslash}p{0.18\textwidth}>{\raggedright\arraybackslash}p{0.25\textwidth}X}
\fitline{Saddle search}{GP-accelerated methods}{JCTC, ChemPhysChem, ACS Phys. Chem. Au, and Frontiers papers on GP-accelerated NEB/dimer, adaptive pruning, benchmarking, and Hessian-aligned CI-NEB.}
\fitline{Atomistic ML}{Interatomic potentials}{EPFL labCOSMO work on \texttt{metatensor}/\texttt{metatomic}, tensor interoperability, GROMACS ML/MM, DLPack, and descriptor portability.}
\fitline{Long timescales}{Adaptive KMC}{Lead eOn maintainer; off-lattice/object KMC scaled past million-atom regimes at Queen's; absorbing-Markov superbasin escape methods.}
\fitline{Kinetics}{Rate theory}{PhD on efficient exploration of chemical kinetics; constrained-path, free-energy, and Bayesian uncertainty machinery for reaction rates.}
\fitline{Infrastructure}{Reproducible science}{NumPy/f2py maintainer, d-SEAMS co-creator, reproducible NEB workflows, pixi/Nix/Snakemake/CI practice, and JOSS editorial service.}
\end{tabularx}
\section{Track Record}
\metric{25} peer-reviewed and conference publications \quad
\metric{1} Rann\'{i}s grant delivered as PI \quad
\metric{5+} years eOn maintenance \quad
\metric{80+} JOSS reviews handled \quad
\metric{575k EUR} COST Action co-proposer network
\begin{itemize}
\item Built and published a Gaussian-process saddle-search stack that reduces reference calls for difficult transition-state searches and now spans NEB, dimer, CI-NEB, adaptive pruning, and Bayesian benchmarking.
\item Works at the interface between atomistic ML infrastructure and production simulation engines: \texttt{metatensor}, \texttt{metatomic}, GROMACS, LAMMPS, eOn, NumPy/f2py, and HPC packaging.
\item Delivered an Icelandic Research Fund doctoral grant as principal investigator on Bayesian machine learning for magnetic interactions and saddle searches.
\end{itemize}
\section{Appointments}
\entry{SURF B.V.}{2026--present}{HPC Advisor, Netherlands}{Supports Dutch national research infrastructure and production HPC users across compute, workflow, and reproducibility.}
\entry{Lab COSMO, EPFL}{2025--2026}{Systems Specialist, Switzerland}{Developed \texttt{metatensor}/\texttt{metatomic} atomistic-ML infrastructure with Prof. Michele Ceriotti and Dr. Guillaume Fraux; worked on GROMACS ML/MM integration and zero-copy tensor exchange across C++, Python, Rust, and Fortran.}
\entry{Queen's University}{2025}{Visiting Researcher, Canada}{Scaled off-lattice/object kinetic Monte Carlo past million-atom regimes with Prof. Laurent B\'{e}land for long-time event-network evolution.}
\entry{University of Iceland}{2019--2024}{Doctoral Researcher and Rann\'{i}s Doctoral Grant PI, Reykjav\'{i}k}{Developed Gaussian-process accelerated saddle point search methods and Bayesian hierarchical benchmarks under Prof. Hannes J\'{o}nsson; ran the GP saddle-search work on Icelandic HPC infrastructure.}
\entry{Quansight Labs}{2021--2025}{Software Engineer II, remote}{Maintained \texttt{f2py} and contributed across NumPy/SciPy, meson-python, LFortran, OpenBLAS, PRIMA, and scientific build infrastructure.}
\section{Education}
\entry{University of Iceland}{2019--2025}{Ph.D. Physical Sciences}{Thesis: ``Efficient Exploration of Chemical Kinetics.'' Supervisor: Prof. Hannes J\'{o}nsson; co-supervisor: Prof. Birgir Hrafnkelsson.}
\entry{HBTU Kanpur}{2014--2018}{B.Tech. Chemical Engineering}{First Division; computational nanoscience, ultrafast optics, and molecular-simulation analysis foundations.}
\newpage
\section{Publications and Method Outputs}
\paper{Efficient Implementation of Gaussian Process Regression Accelerated Saddle Point Searches with Application to Molecular Reactions}{JCTC, 2025}{Core GP saddle-search method for molecular reactions, with true/reference force economy.}{\href{https://doi.org/10.1021/acs.jctc.5c00866}{doi}}
\paper{A Tutorial Review of Bayesian Optimization with Gaussian Processes to Accelerate Stationary Point Searches}{ACS Physical Chemistry Au, 2026}{Review article framing GP acceleration as a reusable method for stationary-point search.}{\href{https://doi.org/10.1021/acsphyschemau.6c00038}{doi}}
\paper{Adaptive Pruning for Increased Robustness and Reduced Computational Overhead in Gaussian Process Accelerated Saddle Point Searches}{ChemPhysChem, 2025}{Cover-feature paper: adaptive training-set pruning for robust, cheaper saddle searches.}{\href{https://doi.org/10.1002/cphc.202500730}{doi}}
\paper{Enhanced Climbing Image Nudged Elastic Band Method with Hessian Eigenmode Alignment}{Frontiers in Chemistry, 2026}{Hessian-aligned CI-NEB method for transition-state search, with Miha Gunde and Hannes J\'{o}nsson.}{\href{https://doi.org/10.3389/fchem.2026.1807063}{doi}}
\paper{Bayesian Hierarchical Models for Quantitative Estimates for Performance Metrics Applied to Saddle Search Algorithms}{AIP Advances, 2025}{Statistical benchmark layer for comparing saddle-search methods without over-reading small test sets.}{\href{https://doi.org/10.1063/5.0283639}{doi}}
\paper{Reproducible Orchestration of Best Practices for Reaction Path Optimization with the Nudged Elastic Band}{MethodsX, 2026}{Executable workflow paper for reproducible NEB calculations and benchmarking.}{\href{https://doi.org/10.1016/j.mex.2026.103899}{doi}}
\paper{Two-Dimensional RMSD Projections for Reaction Path Visualization and Validation}{MethodsX, 2026}{Validation and inspection tool for reaction paths and transition-region geometry.}{\href{https://doi.org/10.1016/j.mex.2026.103851}{doi}}
\paper{Metatensor and Metatomic: Foundational Libraries for Interoperable Atomistic Machine Learning}{JCP, 2026}{Co-author on the tensor and model-stack infrastructure underpinning descriptor event memory.}{\href{https://doi.org/10.1063/5.0304911}{doi}}
\paper{d-SEAMS: Deferred Structural Elucidation Analysis for Molecular Simulations}{JCIM, 2020}{Co-created molecular-simulation analysis engine for water, ice, and confined phases.}{\href{https://doi.org/10.1021/acs.jcim.0c00031}{doi}}
\paper{The State of Fortran}{Computing in Science \& Engineering, 2022}{Community paper and compiler/tooling context for maintainable scientific software.}{\href{https://doi.org/10.1109/MCSE.2022.3159862}{doi}}
\paper{Flowy: High Performance Probabilistic Lava Emplacement Prediction}{CPC, 2025}{High-performance simulation workflow with Moritz Sallermann, Amrita Goswami, and Alejandro Pe\~{n}a-Torres.}{\href{https://doi.org/10.1016/j.cpc.2025.109745}{doi}}
\vspace{0.15em}{\sffamily\bfseries\small\color{cvCoral}Additional peer-reviewed and conference publications}\par\vspace{0.18em}
\publine{Study of Ice Nucleation on Silver Iodide Surface with Defects}{Molecular Physics, 2019}{\href{https://doi.org/10.1080/00268976.2019.1657599}{doi}}
\publine{High-Order Finite Element Method for Atomic Structure Calculations}{Computer Physics Communications, 2023}{\href{https://doi.org/10.1016/j.cpc.2023.109051}{doi}}
\publine{Wailord: Parsers and Reproducibility for Quantum Chemistry}{Proc. 21st Python in Science Conf. (SciPy), 2022}{\href{https://doi.org/10.25080/majora-212e5952-021}{doi}}
\publine{Reproducible High Performance Computing Without Redundancy with Nix}{IEEE PDGC, 2023}{\href{https://doi.org/10.1109/PDGC56933.2022.10053161}{doi}}
\publine{High Throughput Reproducible Literate Phylogenetic Analysis}{IEEE PDGC, 2023}{}
\publine{Unified Software Design Patterns for Simulated Annealing}{arXiv preprint, 2023}{\href{https://doi.org/10.48550/arXiv.2402.06536}{doi}}
\publine{Compositional Analysis of Fragrance Accords Using Femtosecond Thermal Lens Spectroscopy}{Chemistry -- An Asian Journal, 2025}{\href{https://doi.org/10.1002/asia.202500521}{doi}}
\publine{Translational and Rotational Dynamics of a Self-Propelled Janus Probe in Crowded Environments}{Soft Matter, 2020}{\href{https://doi.org/10.1039/D0SM00339E}{doi}}
\publine{Diffusion of Self-Propelled Janus Tracer in Polymeric Environment}{Preprint, 2017}{}
\publine{Semi-Supervised Approaches to Ultrafast Pulse Shaping}{ICOL-2019 (Springer), 2021}{\href{https://doi.org/10.1007/978-981-15-9259-1_172}{doi}}
\publine{Qubit Network Barriers to Deep Learning}{IEEE WRAP, 2019}{\href{https://doi.org/10.1109/WRAP47485.2019.9013687}{doi}}
\publine{Quantum Distributed Computing with Shaped Laser Pulses}{OSA Photonics, 2016}{\href{https://doi.org/10.1364/photonics.2016.w4c.3}{doi}}
\publine{Space Filling Curves: Heuristics for Semi-Classical Lasing Computations}{URSI AP-RASC, 2019}{\href{https://doi.org/10.23919/URSIAP-RASC.2019.8738612}{doi}}
\publine{Don't Pull Punches in Peer Review}{Nature (Correspondence), 2019}{\href{https://doi.org/10.1038/d41586-019-03024-2}{doi}}
\section{Grants, Awards, and Funded Roles}
\compactentry{COST Action CA24106 co-proposer and Iceland Management Committee member}{2025--2029}{\textbf{575,000 EUR} European Cooperation in Science and Technology network: Building Education and One Health with Adaptive Convergence and Open Networks.}
\compactentry{Icelandic Research Fund Doctoral Research Grant, PI}{2020--2023}{\textbf{6.65M ISK}. Title: ``Magnetic interactions of itinerant electrons modeled using Bayesian machine learning.''}
\compactentry{Google Summer of Code mentor funding}{2023--2024}{\textbf{6,000 USD}. Mentored Python bindings and contributor onboarding for d-SEAMS/pySEAMS.}
\compactentry{NumFOCUS Small Development Grants}{2022--2023}{\textbf{14,600 USD total}. LFortran/SciPy and scientific Python compiler-build work.}
\compactentry{Google Season of Docs technical-writer grant}{2022}{\textbf{10,000 USD}. Generated documentation capacity for scientific software.}
\compactentry{Springer Best Student Paper Award}{2016}{Photonics conference recognition for early ultrafast-optics work.}
\newpage
\section{Open Source and Infrastructure Record}
\skillline{eOn}{Lead maintainer for long-timescale dynamics: RPC architecture, GP saddle searches, Hessian CI-NEB, ML potentials, reproducible packaging.}
\skillline{\texttt{metatensor}/\texttt{metatomic}}{Contributor to atomistic-ML infrastructure: DLPack, device-aware execution, Rust/C++/Python interoperability, GROMACS interface work.}
\skillline{\texttt{f2py}/NumPy}{Maintainer of NumPy's Fortran-to-Python interface; Meson backend, derived-type support, and scientific build-system modernization.}
\skillline{d-SEAMS/pySEAMS}{Co-creator of molecular-trajectory analysis engine; mentored Python bindings through Google Summer of Code.}
\skillline{SciPy, HiGHS, OpenBLAS, LFortran}{Build, solver, compiler, and linear-algebra contributions used by the scientific Python stack.}
\skillline{Reproducibility stack}{Nix, pixi, Snakemake, CMake, Meson, CI, containers, Slurm, Spack, EasyBuild, LaTeX, and literate org-mode workflows.}
\section{Talks and Scientific Communication}
\compactentry{Managing concurrency for high throughput adaptive kinetic Monte Carlo}{ACS Fall, 2025}{Washington, DC. High-throughput aKMC concurrency and scheduling.}
\compactentry{Towards a million atoms and a thousand KMC steps a day}{Kernel aKMC, 2025}{Queen's University, Canada. Scaling KMC/event-network methods with the B\'{e}land group.}
\compactentry{Low Data Saddle Search Acceleration with Bayesian Performance Analysis}{ML in Chemical and Materials Sciences, 2025}{Talk on GP saddle-search acceleration and uncertainty-aware benchmarking.}
\compactentry{Advocating for standardized APIs for common procedures}{Psi-k, 2025}{EPFL, Lausanne. Scientific-software interfaces for transition-state and atomistic workflows.}
\compactentry{Accelerating Saddle Searches with Gaussian Process Regression}{CECAM LTS-MAP, 2024}{Invited talk, Lausanne. Long-time multi-scale simulations of activated events.}
\compactentry{Computational Chemistry and Possible Tensor Applications}{IPAM TMRC2, 2023}{Invited talk, UCLA. Tensor methods and computational-chemistry workloads.}
\compactentry{Development, Benchmarks and Workflows}{CECAM-ESL Advancing the Molecular Paradigm, 2024}{Reproducible benchmarking and workflow practice for electronic-structure codes.}
\section{Teaching, Mentorship, and Training}
\compactentry{University of Iceland, supervisory and course teaching}{2021--2024}{Supervisory teacher for Software Quality Management; teaching in Machine Learning, Statistical Inference for Biology, and computational workshops.}
\compactentry{Software/Data Carpentry and Code in Place}{2020--2024}{Instructor, helper, mentor, and section leader across Git/GitHub, R, Python, and introductory computing.}
\compactentry{Google Summer of Code and NumFOCUS mentorship}{2023--present}{Mentored first-time scientific-software contributors; coordinated contributor pathways around NumFOCUS projects.}
\section{Selected Service and Reviewing}
\begin{itemize}
\item \textbf{Journal of Open Source Software editor} (2024--present), topic editor; handled 80+ reviews across scientific software.
\item \textbf{Nordic Research Software Engineers Association}, board member and founding secretary.
\item \textbf{IEEE P3173 vice chair} and IEEE standards work on chemical hazard labelling; earlier standards participation in P2881 and P1940.
\item \textbf{NumFOCUS Google Summer of Code administrator} (2024--present).
\item \textbf{National HPC Centre of Iceland consultant} (2021--2024), Simulation and Data Lab Computational Chemistry.
\item \textbf{Triangle Scholarly Communication Institute} (2019), invited participant in a funded incubator on equity and diversity in peer review.
\item Reviewer for Nature Communications, Physical Review Letters, Physical Review A/E/Applied, IOP journals, PLOS ONE, PeerJ, JOSS, and Manning Publications.
\end{itemize}
\section{Honours and Fellowships}
\skillline{Fellowships and awards}{IPAM Fellow, Institute for Pure and Applied Mathematics, UCLA (2021), Tensor Methods long programme; Springer Best Student Paper Award, Photonics-2016 (Nonlinear-Optics session, IIT Kanpur).}
\section{Technical Breadth}
\skillline{Scientific domains}{Chemical kinetics, transition-state theory, adaptive kinetic Monte Carlo, molecular dynamics, photocatalysis, atomistic machine learning, Bayesian optimization, Gaussian processes, uncertainty quantification, rare-event sampling.}
\skillline{Simulation, HPC, and languages}{eOn, LAMMPS, GROMACS, MPI/OpenMP, CUDA, Slurm, Nix, Spack, EasyBuild, containers; C++, Python, Fortran, Rust, R, Julia, shell, with bindings/ABI work across the Python/C++/Fortran/Rust stacks.}
\skillline{Data and ML}{PyTorch, scikit-learn, GPy, Stan, Bayesian hierarchical models, descriptor tensors, reaction-path validation, reproducible benchmark design.}
\skillline{Solvers and tooling}{HiGHS LP/MIP integration into SciPy (\texttt{linprog}/\texttt{milp}) and PRIMA; OpenBLAS Meson port (default NumPy/SciPy BLAS/LAPACK); ASV benchmarking co-maintenance; \texttt{wailord} ORCA parser and rOpenSci-reviewed \texttt{fastMatMR} R bindings.}
\section{Affiliations}
Institute of Physics (MInstP) \textbullet{} Royal Society of Chemistry (MRSC) \textbullet{} BCS, the Chartered Institute for IT (MBCS) \textbullet{} ACM \textbullet{} APS \textbullet{} IEEE \textbullet{} AIChE \textbullet{} Nordic-RSE \textbullet{} TeX Users Group.#+AUTHOR: Rohit Goswami
#+email: rgoswami@ieee.org
#+options: tags:nil title:nil toc:nil num:nil author:nil date:nil
#+LATEX_COMPILER: xelatex
#+LATEX_CLASS: article
#+LATEX_CLASS_OPTIONS: [10pt,a4paper]
#+LATEX_HEADER: \input{preamble.tex}
* Configuration :ignoreheading:ignore:
#+begin_src emacs-lisp :exports none :eval always :results none
,(setq org-latex-default-packages-alist nil)
,(setq org-latex-packages-alist nil)
#+end_src
* Document :ignoreheading:ignore:
#+begin_export latex
\input{body.tex}
#+end_export