James R. Gayvert
James R. Gayvert Boston University 2020-2021 Software Fellow Adviser: Prof. Ksenia Bravaya MolSSI Software Mentor: Dr. Andrew Abi-Mansour “Development of an open-source library for the description of metastable electronic states in molecules”
Igor Gayday
Igor Gayday Marquette University 2020-2021 Software Fellow Adviser: Prof. Dmitri Babikov MolSSI Software Mentor: Dr. Jonathan Moussa “Development of a program for calculation of coupled rotational-vibrational energy levels and their respective lifetimes of three-atomic (and, potentially, tetra-atomic) systems in hyper-spherical (APH) coordinates“
Heta A. Gandhi
Heta A. Gandhi University of Rochester 2020-2021 Software Fellow Adviser: Prof. Andrew D. White MolSSI Software Mentor: Dr. Jessica A. Nash “Extending machine learning software to coarse-grained molecular dynamics“
Sebastian Dick
View on Github Sebastian Dick Stony Brook University 2019-2021 Software Fellow Adviser: Prof. Marivi Fernandez-Serra MolSSI Software Mentor: Dr. Sam Ellis (a) “Improving electronic structure calculations with the help of machine learning”; and (b) ”Development of an open source library for machine learned density functionals“
Bradley Dice
View on Github View Documentation Bradley Dice University of Michigan 2019-2020 Software Fellow Adviser: Prof. Sharon C. Glotzer MolSSI Software Mentor: Dr. Doaa Altarawy “Developing powerful, parallel analysis tools for studies of soft matter, nanoparticles, and colloidal self-assembly
Ryan J. DiRisio
Ryan J. DiRisio University of Washington 2020 Software Fellow Adviser: Prof. Anne B. McCoy MolSSI Software Mentor: Dr. Jonathan Moussa “Development of an open source, general-purpose Diffusion Monte Carlo software suited for high-performance computing environments to study vibrational problems“
Emiliano Deustua
View on Github Emiliano Deustua Michigan State University 2018-2020 Software Fellow Adviser: Prof. Piotr Piecuch MolSSI Software Mentor: Dr. Johnathan Moussa “Coupled-cluster software using moment expansions and stochastic wave function sampling“
Jennifer Clark
Jennifer Clark North Carolina State University 2019-2021 Software Fellow Adviser: Prof. Erik Santiso MolSSI Software Mentor: Dr. Andrew Abi-Mansour “Developing the first open-source application for thermodynamic calculations for the Statistical Associating Fluid Theory equation of state and associated coarse-graining method“
Victor Chavez
Victor Chavez Purdue University 2020-2021 Software Fellow Adviser: Prof. Adam Wasserman MolSSI Software Mentor: Dr. Taylor Barnes “Development and implementation of Partition DFT“
Giuseppe Barbalinardo
Giuseppe Barbalinardo University at California, Davis 2019 Software Fellow Adviser: Prof. Davide Donadio MolSSI Software Mentor: Dr. Doaa Altarawy “Development of an open source framework to model heat transport at the nanoscale”