Search

4 results in Keywords: model selection

Theoretical and Computational Chemistry

Bayesian mechanistic inference, statistical mechanics, and a new era for Monte Carlo

Daniel Zuckerman, August George

Version 1 posted 05 January 2024

435

Downloads

Theoretical and Computational Chemistry

Model selection using replica averaging with Bayesian inference of conformational populations

Robert M. Raddi, Tim Marshall, Yunhui Ge, Vincent Voelz

Version 1 posted 16 August 2023

254

Downloads

Physical Chemistry

Using Bayesian Model Selection to Advise Neutron Reflectometry Analysis from Langmuir-Blodgett Monolayers

Andrew McCluskey, Tom Arnold, Joshaniel F. K. Cooper, Tim Snow

Version 1 posted 25 October 2019

486

Downloads

Theoretical and Computational Chemistry

Towards Autonomous Machine Learning in Chemistry via Evolutionary Algorithms

Gaurav Vishwakarma, Mojtaba Haghighatlari, Johannes Hachmann

Version 1 posted 09 September 2019

943

Downloads

5

Citations