Previous Software Fellows
Nadav Geva
Massachusetts Institute of Technology
2017 Software Fellow
Adviser: Prof. Troy Van Voorhis
MolSSI Software Mentor: Dr. Daniel Smith
“Energy transfer between organic semiconductors and emerging low dimensionality materials"
Jason Gibson
University of Florida
2021 Software Fellow
Adviser: Prof. Richard Hennig
MolSSI Software Mentor: Dr. Jessica A. Nash
“Database and API development of proven machine learning models to accelerate material simulations”
Samuel Greene
University of Chicago
2019-2021 Software Fellow
Adviser: Prof. Timothy Berkelbach and Prof. Jonathan Weare
MolSSI Software Mentor: Dr. Benjamin Pritchard
“Developing randomized linear algebra libraries for efficient quantum chemistry calculations”
Alon Grinberg Dana
Massachusetts Institute of Technology
2020 Software Fellow
Adviser: Prof. William H. Green
MolSSI Software Mentor: Dr. Matthew Welborn
“Improving electronic structure calculations with the help of machine learning”,”Development of an open source library for machine learned density functionals"
Mojtaba Haghighatlari
University at Buffalo
2018-2020 Software Fellow
Adviser: Prof. Johannes Hachmann
MolSSI Software Mentor: Dr. Doaa Altarawy
“Advancing Machine Learning Methodology and Software for Data-Driven Discovery in Chemistry"
Jennifer Hays
University of Virginia
2018-2020 Software Fellow
Adviser: Prof. Peter M. Kasson
MolSSI Software Mentor: Dr. Benamin Pritchard
“Development of methods and software to integrate complex, multi-modal experimental data into molecular dynamics simulations"
Alexander Heide
University of Georgia
2022-23 Software Fellow
Advisor: Prof. Henry F. Schaefer
MolSSI Software Mentor: Dr. Benjamin Pritchard
“Implementing reaction path methods to explore potential energy surfaces by finding transition states and valley-ridge inflection points”
Alex Holehouse
Washington University in St. Louis
2019 Software Fellow
Adviser: Prof. Rohit V. Pappu
MolSSI Software Mentor: Dr. Jessica A. Nash
“Development of computational tools to explore and understand bimolecular phase separation of intrinsically disordered proteins"
Aria Hosseini
Massachusetts Institute of Technology
Advisor: Profs. Giuseppe Romano and Keith A. Nelson
MolSSI Software Mentor: Dr. Sina Mostafanejad
“Development of a package, called OpenKapitza, will wrap around molecular dynamics and density functional theory codes to compute heat transport across inhomogeneous interfaces”
M. Eric Irrgang
University of Virginia
2018-2019 Software Fellow
Adviser: Prof. Peter Kasson
MolSSI Software Mentor: Dr. Jessica A. Nash
“Development of a GROMACS extension API and Python module for scalable complex workflows"