Srinivas Mushnoori
View Documentation Srinivas Mushnoori Rutgers University 2017-2019 Software Fellow Adviser: Prof. Meenakshi Dutt MolSSI Software Mentor: Drs. Ben Pritchard and Doaa Altarawy “Development and extension of a flexible, scalable Replica Exchange framework“
Ankita J. Mukhtyar
Ankita J. Mukhtyar Cornell University 2020 Software Fellow Adviser: Prof. Fernando A. Escobedo MolSSI Software Mentor: Dr. Eliseo Marin-Rimoldi “Developing a pattern recognition based framework to characterize order in materials, with a focus on block copolymer self assembly“
Sina Mostafanejad
View on GitHub View Documentation Sina Mostafanejad Florida State University 2019-2021 Software Fellow Adviser: Prof. Albert E. DePrince MolSSI Software Mentor: Drs. Sam Ellis and Matthew Welborn “Accurate Reduced-Density Matrix-Based Methods for Strongly-Correlated Systems“
Pascal T. Merz
Pascal T. Merz University of Colorado, Boulder 2020-2021 Software Fellow Adviser: Prof. Michael Shirts MolSSI Software Mentor: Dr. Eliseo Marin-Rimoldi “Enhancement of GROMACS to provide an extensible high-performance hybrid MC/MD framework“
James D. McClain
James D. McClain California Institute of Technology 2018-19 Software Fellow Adviser: Prof. Garnet Chan MolSSI Software Mentor: Drs. Taylor Barnes and Daniel Smith “Advancing the solid-state electronic structure capabilities of the open-source PySCF package“
Sriramvignesh Mani
Sriramvignesh Mani University of Chicago 2020 Software Fellow Adviser: Prof. Gregory Voth MolSSI Software Mentor: Dr. Andrew Abi-Mansour “Development of Multiscale Ultra-Coarse-Graining (UCG) Computational Framework for Simulating Biochemical Reaction Networks“
Aaron L. Mahler
Aaron L. Mahler Duke University 2018-2020 Software Fellow Adviser: Prof. Weitao Yang MolSSI Software Mentor: Dr. Taylor Barnes “Theory and implementation of a localized orbital scaling correction to generate improved functionals“
Fang Liu
View on GitHub View Documentation Fang Liu Massachusetts Institute of Technology 2019-2020 Software Fellow Adviser: Prof. Heather J. Kulik MolSSI Software Mentor: Dr. Daniel Smith “Improving the interoperability of quantum chemistry packages and enabling in-situ automated analysis and control of simulations“
Nathan Lim
View on GitHub View Documentation Nathan Lim University of California, Irvine 2018-2020 Software Fellow Adviser: Prof. David L. Mobley MolSSI Software Mentor: Dr. Eliseo Marin-Rimoldi “Development of an enhanced sampling toolkit for molecular dynamics simulations in OpenMM“
Sebastian Lee
Sebastian Lee California Institute of Technology 2019-2021 Software Fellow Adviser: Prof. Thomas Miller MolSSI Software Mentor: Dr. Taylor Barnes “Creation of a general, open-sourced implementation the projection-based wavefunction- in-DFT embedding method to provide a general framework for application studies using wide-ranging codes and for quantum embedding method developments“