Previous Software Fellows
Iliya Sabzevari
University of Colorado at Boulder
2020 Software Fellow
Adviser: Prof. Sandeep Sharma
MolSSI Software Mentor: Dr. Levi Naden
“Develop a systematically improvable approach to challenging chemical problems using Quantum Monte Carlo"
Janos Sarka
Texas Tech University
2019 Software Fellow
Adviser: Prof. Bill Poirier
MolSSI Software Mentor: Dr. Eliseo Marin-Rimoldi
“Development of exact rovibrational spectroscopy codes to solve the time independent, nuclear-motion Schrödinger equation on massively parallel high-performance computing clusters"
Dr. Thais Scott
University of California Irvine
2022-23 Software Fellow
Advisor: Prof. Kieron Burke
MolSSI Software Mentor: Dr. Sina Mostafanejad
"Developing python modules for ensemble density functional theory dynamics with various coupling terms derived analytically and using differentiable quantum chemistry libraries."
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"