Search

Categories

Catalysis

(1)

Theoretical and Computational Chemistry

(1)

Content Types

Working Paper

(2)

Published Date

Last 3 years

(2)

Keywords

Authors

Saumya Thakur

2 results in Authors: Saumya Thakur

Theoretical and Computational Chemistry

DeepWEST: Deep learning of kinetic models with the Weighted Ensemble Simulation Toolkit for enhanced sampling

Anupam Ojha, Saumya Thakur, Surl-Hee Ahn, Rommie Amaro

Version 3 posted 02 December 2022

820

Downloads

An Unsupervised Machine Learning Workflow for Assigning and Predicting Generality in Asymmetric Catalysis

Isaiah Betinol, Junshan Lai, Saumya Thakur, Jolene Reid

Version 2 posted 14 March 2023

827

Downloads