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"