Michael F. Herman - Related publications

Tulane University, New Orleans, LA, United States 
Physical Chemistry
NOTE: We are testing a new system for identifying relevant work based on semantic analysis that identifies similarities between recently published papers and the current author's publications. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches.
7 most relevant papers in past 60 days:
Year Citation  Score
2021 Song H, Freixas VM, Fernandez-Alberti S, White AJ, Zhang Y, Mukamel S, Govind N, Tretiak S. An Ab Initio Multiple Cloning Method for Non-Adiabatic Excited-State Molecular Dynamics in NWChem. Journal of Chemical Theory and Computation. PMID 34014085 DOI: 10.1021/acs.jctc.1c00131   
2021 Kroes GJ. Computational approaches to dissociative chemisorption on metals: towards chemical accuracy. Physical Chemistry Chemical Physics : Pccp. 23: 8962-9048. PMID 33885053 DOI: 10.1039/d1cp00044f   
2021 Kanakati AK, Mahapatra S. Vibronic coupling in the first six electronic states of pentafluorobenzene radical cation: Radiative emission and nonradiative decay. The Journal of Chemical Physics. 154: 054313. PMID 33557553 DOI: 10.1063/5.0039923   
2021 Pandharkar R, Hermes MR, Cramer CJ, Truhlar DG, Gagliardi L. Localized Active Space Pair-Density Functional Theory. Journal of Chemical Theory and Computation. PMID 33900078 DOI: 10.1021/acs.jctc.1c00067   
2021 Lee J, Malone FD, Morales MA, Reichman DR. Spectral Functions from Auxiliary-Field Quantum Monte Carlo without Analytic Continuation: The Extended Koopmans' Theorem Approach. Journal of Chemical Theory and Computation. PMID 33983735 DOI: 10.1021/acs.jctc.1c00100   
2021 Maity S, Daskalakis V, Elstner M, Kleinekathöfer U. Multiscale QM/MM molecular dynamics simulations of the trimeric major light-harvesting complex II. Physical Chemistry Chemical Physics : Pccp. 23: 7407-7417. PMID 33876100 DOI: 10.1039/d1cp01011e   
2021 Fowles DJ, Palmer DS, Guo R, Price SL, Mitchell JBO. Toward Physics-Based Solubility Computation for Pharmaceuticals to Rival Informatics. Journal of Chemical Theory and Computation. PMID 33988381 DOI: 10.1021/acs.jctc.1c00130