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The Journal of Physical Chemistry. A|July 6, 2024
Scalable Ab Initio Electronic Structure Methods with Near Chemical Accuracy for Main Group ChemistryYujing Wei, Sibali Debnath, John L Weber, et al.Journal of Chemical Theory and Computation|March 19, 2019
On Achieving High Accuracy in Quantum Chemical Calculations of 3 d Transition Metal-Containing Systems: A Comparison of Auxiliary-Field Quantum Monte Carlo with Coupled Cluster, Density Functional Theory, and Experiment for Diatomic MoleculesJames Shee, Benjamin Rudshteyn, Evan J Arthur, et al.Nature Structural & Molecular Biology|December 25, 2012
The promoter-search mechanism of Escherichia coli RNA polymerase is dominated by three-dimensional diffusionFeng Wang, Sy Redding, Ilya J Finkelstein, et al.Physical Chemistry Chemical Physics : PCCP|December 23, 2020
A non-perturbative pairwise-additive analysis of charge transfer contributions to intermolecular interaction energiesSrimukh Prasad Veccham, Joonho Lee, Yuezhi Mao, et al.Journal of Women'S Health (2002)|January 12, 2018
The Association Between Low 50 g Glucose Challenge Test Values and Adverse Pregnancy OutcomesHayan Kwon, Joonho Lee, Byung-Wan Lee, et al.The Journal of Chemical Physics|July 9, 2021
Exploring spin symmetry-breaking effects for static field ionization of atoms: Is there an analog to the Coulson-Fischer point in bond dissociation?Leonardo A Cunha, Joonho Lee, Diptarka Hait, et al.Journal of Chemical Theory and Computation|November 19, 2015
Embedded mean-field theoryMark E Fornace, Joonho Lee, Kaito Miyamoto, et al.Journal of Chemical Theory and Computation|February 5, 2025
Beyond CCSD(T) Accuracy at Lower Scaling with Auxiliary Field Quantum Monte CarloAnkit Mahajan, James H Thorpe, Jo S Kurian, et al.Journal of Chemical Theory and Computation|March 3, 2026
Evaluating Multiconfigurational Trials for Accurate Phaseless Auxiliary-Field Quantum Monte Carlo on 3d Transition Metal ComplexesHung T Vuong, Ankit Mahajan, John L Weber, et al.Nature Communications|July 15, 2023
Finding defects in glasses through machine learningSimone Ciarella, Dmytro Khomenko, Ludovic Berthier, et al.Pageof 31