Previous Software Fellows
Oanh Vu
Vanderbilt University
2017-2019 Software Fellow
Adviser: Prof. Jens Meiler
MolSSI Software Mentor: Dr. Doaa Altarawy
“Machine-learning models used for drug discovery through local similarity-based descriptors with traditional autocorrelation descriptors"
Zhi Wang
Washington University in St. Louis
2019 Software Fellow
Adviser: Prof. Jay W. Ponder
MolSSI Software Mentor: Dr. Andrew Abi-Mansour
“GPU-accelerated library of the next-generation force fields and enhanced sampling methods for molecular dynamics simulations"
Xiao Wang
Purdue University
2022-23 Software Fellow
Advisor: Prof. Daisuke Kihara
MolSSI Software Mentor: Drs. Jessica Nash, Sam Ellis and Jing Chen
"We will develop a computational method for modeling DNA and RNA from cryo-EM maps."
Yiwen Wang
University of Wisconsin-Madison
2024-25 Software Fellow
“Implementing constrained multicomponent time-dependent density functional theory for simulating excited state dynamics with nuclear quantum effects.”
Michael D. Ward
Washington University School of Medicine
2020 Software Fellow
Advisor: Prof. Gregory R. Bowman
MolSSI Software Mentor: Dr. Sina Mostafanejad
“Deep learning to identify the mechanistic basis for biochemical differences between protein variants"
Geemi P. Wellawatte
University of Rochester
2020 Software Fellow
Adviser: Prof. Andrew White
MolSSI Software Mentor: Dr. Eliseo Marin-Rimoldi
“Development of an automated, complete coarse-grained simulation model"
Bryce M. Westheimer
Iowa State University
2020-2021 Software Fellow
Adviser: Prof. Mark S. Gordon
MolSSI Software Mentor: Dr. Taylor Barnes
“Development of a high-performance, open source library for fragment-based ab initio quantum chemistry simulations"
Caitlin Whitter
Purdue University
2024-25 Software Fellow
"Design and implementation of a software pipeline for extracting representative subsets of molecular science datasets to enable efficient neural network training and greater insight into the underlying distribution of the datasets."
David Williams-Young
University of Washington
2017 Software Fellow
Adviser: Prof. Xiaosong Li
MolSSI Software Mentor: Dr. Benjamin Pritchard
“Development of high-performance and scalable relativistic electronic structure methods for the ab initio prediction of molecular properties"
Zachary Windom
University of Florida
2022-23 Software Fellow
Advisor: Prof. Rodney Bartlett
MolSSI Software Mentor: Dr. Taylor Barnes
“Developing an economical way of capturing strong correlation effects using a Coupled Cluster method based entirely on T2”