Janos Sarka
Janos Sarka Texas Tech University 2019 Software Fellow Adviser: Prof. Bill Poirier MolSSI Software Mentor: Dr. Eliseo Marin-Rimoldi “Development of exact rovibrational spectroscopy codes to solve the time independent, nuclear-motion Schrödinger equation on massively parallel high-performance computing clusters“
Iliya Sabzevari
Iliya Sabzevari University of Colorado at Boulder 2020 Software Fellow Adviser: Prof. Sandeep Sharma MolSSI Software Mentor: Dr. Levi Naden “Develop a systematically improvable approach to challenging chemical problems using Quantum Monte Carlo“
John Russo
John Russo Oregon Health and Science University 2021 Software Fellow Adviser: Prof. Daniel Zuckerman MolSSI Software Mentor: Dr. Levi Naden “Enhancing the WESTPA weighted ensemble simulation tool by implementing recent methodological advances in analysis for improved rate constant estimation“
Joao Rodrigues
Joao Rodrigues Stanford University School of Medicine 2020 Software Fellow Adviser: Prof. Michael Levitt MolSSI Software Mentor: Dr. Levi Naden “Developing an open-source library to characterize the chemistry and energetics of protein interfaces“
Marc Riera-Riambau
View on GitHub Marc Riera-Riambau University of California, San Diego 2017-2019 Software Fellow Adviser: Prof. Francesco Paesani MolSSI Software Mentor: Dr. Daniel Smith “Development and application of many-body potential energy functions in a user friendly software interface“
Dhiman Ray
Dhiman Ray University of California, Irvine 2020 Software Fellow Adviser: Prof. Ioan Andricioaei MolSSI Software Mentor: Dr. Eliseo Marin-Rimoldi “Development and Implementation of the Weighted Ensemble Milestoning (WEM) Scheme for Studying Rare Events in Molecular Biophysics“
Farhad Ramezanghorbani
Farhad Ramezanghorbani University of Florida 2020 Software Fellow Adviser: Prof. Adrian Roitberg MolSSI Software Mentor: Drs. Levi Naden and Matthew Welborn “Development of neural network architectures for multi-task learning of QM energies and forces to enhance drug discovery“
Joshua A. Rackers
View on GitHub Joshua A. Rackers Washington University in St. Louis 2018 Software Fellow Adviser: Prof. Jay Ponder MolSSI Software Mentor: Dr. Daniel Smith “Working to make the next generation of the AMOEBA force field more accurate and more widely available”“
Yudong Qiu
Yudong Qiu University of California, Davis 2018 Software Fellow Adviser: Prof. Lee-Ping Wang MolSSI Software Mentor: Drs. Daniel Smith and Doaa Altarawy “Development of a web application for automatic and reproducible force field parameterization“
Dominique Nocito
Dominque Nocito University of California, Riverside 2018 Software Fellow Adviser: Prof. Gregory Beran MolSSI Software Mentor: Dr. Taylor Barnes “Developing algorithms to make numerically robust polarizable force field simulations more computationally tractable for chemical systems of interest“