Previous Software Fellows
Ruslan Tazhigulov
Boston University
2018 Software Fellow
Adviser: Prof. Ksenia Bravaya
MolSSI Software Mentor: Dr. Doaa Altarawy
“A web application for robust identification, mapping, and visualization of electron/hole transfer channels in proteins and protein families"
Erik Thiede
University of Chicago
2017-2019 Software Fellow
Adviser: Prof. Aaron Dinner and Prof. Jonathan Weare
MolSSI Software Mentor: Dr. Eliseo Marin-Rimoldi
“Protein dynamics in the absence of collective variables through dynamics-dependent statistics and the study of partial differential equations"
Rithwik Tom
Carnegie Mellon University
2021 Software Fellow
Adviser: Prof. Noa Marom
MolSSI Software Mentor: Dr. Jonathan Moussa
“Development of crystal structure prediction of molecular co-crystals"
Patricia Vindel Zandbergen
Rutgers University
2021 Software Fellow
Adviser: Prof. Neepa T. Maitra
MolSSI Software Mentor: Dr. Sina Mostafanejad
“Implementation and development of mixed quantum classical methods to study laser driven molecular dynamics within the framework of the Exact Factorization approach"
Oanh Vu
Vanderbilt University
2017-2019 Software Fellow
Adviser: Prof. Jens Meiler
MolSSI Software Mentor: Dr. Doaa Altarawy
“Machine-learning models used for drug discovery through local similarity-based descriptors with traditional autocorrelation descriptors"
Zhi Wang
Washington University in St. Louis
2019 Software Fellow
Adviser: Prof. Jay W. Ponder
MolSSI Software Mentor: Dr. Andrew Abi-Mansour
“GPU-accelerated library of the next-generation force fields and enhanced sampling methods for molecular dynamics simulations"
Michael D. Ward
Washington University School of Medicine
2020 Software Fellow
Adviser: Prof. Gregory R. Bowman
MolSSI Software Mentor: Dr. Sina Mostafanejad
“Deep learning to identify the mechanistic basis for biochemical differences between protein variants"
Geemi P. Wellawatte
University of Rochester
2020 Software Fellow
Adviser: Prof. Andrew White
MolSSI Software Mentor: Dr. Eliseo Marin-Rimoldi
“Development of an automated, complete coarse-grained simulation model"
Bryce M. Westheimer
Iowa State University
2020-2021 Software Fellow
Adviser: Prof. Mark S. Gordon
MolSSI Software Mentor: Dr. Taylor Barnes
“Development of a high-performance, open source library for fragment-based ab initio quantum chemistry simulations"
David Williams-Young
University of Washington
2017 Software Fellow
Adviser: Prof. Xiaosong Li
MolSSI Software Mentor: Dr. Benjamin Pritchard
“Development of high-performance and scalable relativistic electronic structure methods for the ab initio prediction of molecular properties"