Previous Software Fellows
Sriramvignesh Mani
University of Chicago
2020 Software Fellow
Adviser: Prof. Gregory Voth
MolSSI Software Mentor: Dr. Andrew Abi-Mansour
“Development of Multiscale Ultra-Coarse-Graining (UCG) Computational Framework for Simulating Biochemical Reaction Networks"
James D. McClain
California Institute of Technology
2018-19 Software Fellow
Adviser: Prof. Garnet Chan
MolSSI Software Mentor: Drs. Taylor Barnes and Daniel Smith
“Advancing the solid-state electronic structure capabilities of the open-source PySCF package"
Pascal T. Merz
University of Colorado, Boulder
2020-2021 Software Fellow
Adviser: Prof. Michael Shirts
MolSSI Software Mentor: Dr. Eliseo Marin-Rimoldi
“Enhancement of GROMACS to provide an extensible high-performance hybrid MC/MD framework"
Sina Mostafanejad
Florida State University
2019-2021 Software Fellow
Adviser: Prof. Albert E. DePrince
MolSSI Software Mentor: Drs. Sam Ellis and Matthew Welborn
“Accurate Reduced-Density Matrix-Based Methods for Strongly-Correlated Systems"
Ankita J. Mukhtyar
Cornell University
2020 Software Fellow
Adviser: Prof. Fernando A. Escobedo
MolSSI Software Mentor: Dr. Eliseo Marin-Rimoldi
“Developing a pattern recognition based framework to characterize order in materials, with a focus on block copolymer self assembly"
Srinivas Mushnoori
Rutgers University
2017-2019 Software Fellow
Adviser: Prof. Meenakshi Dutt
MolSSI Software Mentor: Drs. Ben Pritchard and Doaa Altarawy
“Development and extension of a flexible, scalable Replica Exchange framework"
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"
Anupam A Ojha
University of California San Diego
2021-A Seed Software Fellow
Adviser: Prof. Rommie Amaro
MolSSI Software Mentor: Dr. Eliseo Marin-Rimoldi
“Developing a Multiscale Milestoning Simulation Approach for Efficient Protein-Ligand Binding and Unbinding Kinetics”
Heejune Park
University of California, Davis
Adviser: Prof. Lee-Ping Wang
MolSSI Software Mentor:
“Development of reaction path finding and optimization methods and implementation into the QCArchive Infrastructure”
Linqing Peng
California Institute of Technology
Adviser: Prof. Garnet K. Chan
MolSSI Software Mentor:
“Creation of a general, open-sourced implementation of density matrix embedding framework to predict correlated properties with both high accuracy and affordable cost”