James M. Krieger
James M. Kriger University of Pittsburgh 2020 Software Fellow Adviser: Prof. Ivet Bahar MolSSI Software Mentor: Dr. Andrew Abi-Mansour “Applying a multi-component computational approach to the coronavirus spike protein, which will provide a greater understanding of how the virus enters host cells and therefore will help identify drugs that interfere with such mechanisms.“
Lauren Koulias
Lauren Koulias University of Washington 2019-2020 Software Fellow Adviser: Prof. Xiaosong Li MolSSI Software Mentor: Dr. Jonathan Moussa and Dr. Daniel Smith “Development of time-dependent equation-of-motion coupled-cluster methods with a focus on relativistic effects“
Monika Kodrycka
Monika Kodrycka Auburn University 2019 Software Fellow Adviser: Prof. Konrad Patkowski MolSSI Software Mentor: Dr. Levi Naden “The development of a massively parallel framework for computing dispersion energies using explicitly correlated methods“
M. Eric Irrgang
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“
Alex Holehouse
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“
Jennifer Hays
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“
Mojtaba Haghighatlari
View Documentation View on GitHub 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“
Samuel Greene
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”
Jason Gibson
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”
Nadav Geva
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“