TCKDB - Theoretical Chemical Kinetics Database
Alon Grinberg Dana
Introduction
Welcome to the website for the 2019-2020 MolSSI Software Fellow Projects.
All MolSSI Software Fellows who were funded by the institute July 2019 - June 2020 were invited to contribute posters on their software projects. We hope you enjoy reading about all of the great work these students and post docs are doing as much as we've enjoyed working with them this past year.
Software Fellow Posters
NeuralXC
Sebastian Dick
A framework to train and deploy machine-learned density functionals
Reduced Density Matrix-Based Models for Strongly Correlated Electrons
Mohammad Mostafanejad
Introduction
Gradients and Geometry Optimization with Multireference Wavefunctions
James E. T. Smith
Introduction
New Tools for Detecting MultirefPredict Character in Transition Metal Chemical Space
Fang Liu
Introduction