University of Chicago
2022-23 Software Fellow
Advisor: Prof. Andrew Ferguson
MolSSI Software Mentor: Drs. Jing Chen and Levi Naden
"Leveraging machine learning tools to accelerate and elucidate molecular dynamics simulations of biomolecular systems"
University of Chicago
2018 Software Fellow
Adviser: Prof. Andrew L. Ferguson
MolSSI Software Mentor: Drs. Doaa Altarawy and Eliseo Marin-Rimoldi
“Combining machine learning, collective variable discovery, and free energy sampling in an OpenMM-accelerated framework"
University of Colorado, Boulder
2018-2020 Software Fellow
Adviser: Prof. Sandeep Sharma
MolSSI Software Mentor: Dr. Taylor Barnes
“Calculating nuclear energy gradients and response properties of SHCI wavefunctions"
Emory University
2019-2021 Software Fellow
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"
Tri-Institutional PhD Program in Chemical Biology
2018-2020 Software Fellow
Adviser: Prof. John Chodera
MolSSI Software Mentor: Dr. Daniel Smith
“Improving molecular models via generating chemically relevant quantum mechanics data to remove bias in data, and quantifying parameter uncertainty due to force field fitting errors"
University of Washington
2020 Software Fellow
Adviser: Prof. Xiaosong Li
MolSSI Software Mentor: Dr. Benjamin Pritchard
“An efficient implementation of effective QED configuration interaction for high accuracy heavy element chemistry"
University of Pittsburgh
2018 Software Fellow
Adviser: Prof. David Koes
MolSSI Software Mentor: Drs. Jessica Nash and Doaa Altarawy
“Novel algorithms for improving generalization and performance of machine learning models of molecular binding"
University of California, Berkeley
2018-2020 Software Fellow
Adviser: Prof. Eran Rabani
MolSSI Software Mentor: Dr. Daniel Smith
“Stochastic electronic structure techniques for large-scale molecular systems"
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"
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"