Seed Fellows
Ryan DiRisio
University of Washington
2020-B Seed
Adviser: Prof. Anne McCoy
MolSSI Software Mentor: Jonathan Moussa
“Development of an open source, general-purpose Diffusion Monte Carlo software suited for high-performance computing environments to study vibrational problems”
Dr. James Krieger
University of Pittsburgh
2020 COVID-19 Seed
Adviser: Prof. Ivet Bahar
MolSSI Software Mentor: Andrew Abi-Mansour
“Applying a multi-component computational approach to the coronavirus spike protein, which will provide a greater understanding of how the virus enters host cells and therefore will help identify drugs that interfere with such mechanisms“
Dr. Sriramvignesh Mani
University of Chicago
2020-B Seed
Adviser: Prof. Greg Voth
MolSSI Software Mentor: Andrew Abi-Mansour
“Development of Multiscale Ultra-Coarse-Graining (UCG) Computational Framework for Simulating Biochemical Reaction Networks”
Dhiman Ray
University of California, Irvine
2020 COVID-19 Seed
Adviser: Prof. Ioan Andricioaei
MolSSI Software Mentor: Eliseo Marin-Rimoldi
“Development and Implementation of the Weighted Ensemble Milestoning (WEM) Scheme for Studying Rare Events in Molecular Biophysics”
Iliya Sabzevari
University of Colorado at Boulder
2020-B Seed
Adviser: Prof. Sandeep Sharma
MolSSI Software Mentor: Levi Naden
“Developing a systematically improvable approach to challenging chemical problems using Quantum Monte Carlo”
Tongtong Shen
Purdue University
2020-B Seed
Adviser: Prof. Alejandro H. Strachan
MolSSI Software Mentor: Jessica Nash
“Polymer Crystal Structure Generator and Analysis Software (PolymerXtal)”
Torin Stetina
University of Washington
2020-B Seed
Adviser: Prof. Xiaosong Li
MolSSI Software Mentor: Benjamin Pritchard
“An efficient implementation of effective QED configuration interaction for high accuracy heavy element chemistry”
Michael D. Ward
Washington University School of Medicine at St. Louis
2020 COVID-19 Seed
Adviser: Prof. Greg Bowman
MolSSI Software Mentor: Doaa Altarawy
“Deep learning to identify the mechanistic basis for biochemical differences between protein variants.”
Geemi Wellawatte
University of Rochester
2020 COVID-19 Seed
Adviser: Prof. Andrew White
MolSSI Software Mentor: Eliseo Marin-Rimoldi
“Development of an automated, complete coarse-grained simulation model”
Haoyang Wu
Massachusetts Institute of Technology
2020-B Seed
Adviser: Prof. William Green
MolSSI Software Mentor: Doaa Altarawy
“Self-improving software that automatically predicts the chemical stability and model the radical oxidative degradation kinetics of active pharmaceutical ingredients in the solution”
Ivy Zhang
Memorial Sloan Kettering Cancer Center
2020 COVID-19 Seed
Adviser: Profs. John Chodera and Alex Kentsis
MolSSI Software Mentor: Levi Naden
“Design of SARS-CoV-2 antibodies using free energy calculations”
