Investment Fellows

Tucker Burgin
University of Michigan
2019 Seed, 2020 Investment
Adviser: Prof. Heather B. Mayes
MolSSI Software Mentor: Dr. Sam Ellis
“Building software tools for understanding and evolving enzymes in silico guided by unbiased, all-atom simulations”

Jennifer Clark
North Carolina State University
2019 Seed, 2020 Investment
Adviser: Prof. Erik Santiso
MolSSI Software Mentor: Dr. Andrew Abi-Mansour
“Developing the first open-source application for thermodynamic calculations for the Statistical Associating Fluid Theory equation of state and associated coarse-graining method”

Sebastian Dick
Stony Brook University
2019 Seed, 2020 Investment
Adviser: Prof. Marivi Fernandez-Serra
MolSSI Software Mentor: Dr. Sam Ellis
“Improving electronic structure calculations with the help of machine learning”

Heta A. Gandhi
University of Rochester
2020 Investment
Adviser: Prof. Andrew D. White
MolSSI Software Mentor: Dr. Jessica Nash
“Extending machine learning software to coarse-grained molecular dynamics”

Samuel Greene
Columbia University
2019 Seed, 2020 Investment
Adviser: Prof. Timothy Berkelbach and Prof. Jonathan Weare
MolSSI Software Mentor: Dr. Benjamin Pritchard
“Developing randomized linear algebra libraries for efficient quantum chemistry calculations”

Dr. Pascal T. Merz
University of Colorado, Boulder
2020 Investment
Adviser: Prof. Michael D. Shirts
MolSSI Software Mentor: Dr. Eliseo Marin-Rimoldi
“Enhancement of GROMACS to provide an extensible high-performance hybrid MC/MD framework”

Sina Mostafanejad
Florida Stte University
2019 Seed, 2020 Investment
Adviser: Prof. Albert Eugene DePrince III
MolSSI Software Mentor: Drs. Sam Ellis and Matthew Welborn
“Accurate Reduced-Density Matrix-Based Methods for Strongly-Correlated Systems”

Nicholas Stair
Emory University
2019 Seed. 2020 Investment
Adviser: Prof. Francesco Evangelista
MolSSI Software Mentor: Dr. Jonathan Moussa
“Development of a self-contained quantum computer simulator with reference implementations of quantum algorithms for strongly correlated electronic structure problems”