Previous Software Fellows
Isabela Quintela Matos
Cornell University
Adviser: Prof. Fernando Escobedo
MolSSI Software Mentor:
“Development of Python modules for continuum-embedding, integrated “Development of free-energy-based extrapolation methods to optimize Hamiltonian’s parameters that stabilize sought-after mesophases in nanoparticle systems”
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”"
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"
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"
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"
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"
Dominic Rufa
Weill Cornell Graduate School of Medical Sciences
Adviser: Prof. John D. Chodera
MolSSI Software Mentor:
“Development of Python modules for continuum-embedding, integrated “Development of hybrid machine learning/molecular mechanics-based simulation and free energy calculation software for accurate molecular property predictions”
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"
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"
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"