Search

5 results in Authors: James Weber

Toward Benchmark-quality Ab Initio Predictions for 3d Transition Metal Electrocatalysts - A Comparison of CCSD(T) and ph-AFQMC

Hagen Neugebauer, Hung T. Vuong, John L. Weber, Richard A. Friesner, James Shee, Andreas Hansen

Version 2 posted 17 August 2023

609

Downloads

by ChemRxiv

In-Silico Prediction of Annihilators for Triplet Fusion Upconversion via Auxiliary-Field Quantum Monte Carlo

John Weber, Emily Churchill, Evan J. Arthur, Andrew Pun, Shiwei Zhang, Richard Friesner, Luis Campos, David R. Reichman, James Shee

Version 1 posted 16 June 2020

593

Downloads

by ChemRxiv

Calculation of Metallocene Ionization Potentials via Auxiliary Field Quantum Monte Carlo: Towards Benchmark Quantum Chemistry for Transition Metals

Benjamin Rudshteyn, John L. Weber, Dilek Coskun, Pierre A. Devlaminck, Shiwei Zhang, David R. Reichman, James Shee, Richard A. Friesner

Version 3 posted 31 January 2022

1,068

Downloads

by ChemRxiv

Earth and Environmental Sciences

Climate Change and Sustainability

Investigating the effects of the COVID-19 pandemic on climate

James Weber, Youngsub Shin, John Staunton-Sykes, Scott Archer-Nicholls, Luke Abraham, Alex Archibald

Version 1 posted 05 November 2020

86

Downloads

by Cambridge Open Engage

On the potentially transformative role of auxiliary-field quantum Monte Carlo in quantum chemistry: A highly accurate method for transition metals and beyond

James Shee, John Weber, David Reichman, Richard Friesner, Shiwei Zhang

Version 1 posted 04 November 2022

665

Downloads

by ChemRxiv