Tyler Takeshita
Tyler Takeshita 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“
Jocelyn Sunseri
View on GitHub 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“
Torin F. Stetina
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“
Chaya Stern
View on GitHub View on GitHub 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“
Nicholas Stair
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“
James Smith
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“
Hythem Sidky
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“
Tongtong Shen
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)“
Xuecheng Shao
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“
Kutay Sezginel
View on GitHub 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“