Previous Software Fellows
Kutay Sezginel
University of Pittsburgh
2018 Software Fellow
Adviser: Prof. Christopher E. Wilmer
MolSSI Software Mentor: Dr. Jessica Nash
“Computational design of artificial molecular machines"
Xuecheng Shao
Rutgers University, Newark
2020-2021 Software Fellow
Adviser: Prof. Michele Pavanello
MolSSI Software Mentor: Dr. Levi Naden
“Development of multi-scale modeling software in Python based on embedding"
Tongtong Shen
Purdue University
2020 Software Fellow
Adviser: Prof. Alejandro Strachan
MolSSI Software Mentor: Dr. Jessica Nash
“Polymer Crystal Structure Generator and Analysis Software (PolymerXtal)"
Kirill Shmilovich
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"
Hythem Sidky
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"
James Smith
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"
Nicholas Stair
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"
Chaya Stern
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"
Torin F. Stetina
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"
Jocelyn Sunseri
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"