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”

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”

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”

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”

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”

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”

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”

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”