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Theoretical Chemistry Accounts|September 11, 2020
Electron nuclear dynamics with plane wave basis sets: complete theory and formalismErico S Teixeira, Jorge A MoralesJournal of Computational Chemistry|February 12, 2025
Recurrent Neural Network/Machine Learning Predictions of Reactive Channels in H+ + C2H4 at ELab = 30 eV: A Prototype of Ion Cancer Therapy ReactionsDebojyoti Das, Erico S Teixeira, Jorge A MoralesPlos One|April 5, 2017
Exploring water radiolysis in proton cancer therapy: Time-dependent, non-adiabatic simulations of H+ + (H2O)1-6Austin J Privett, Erico S Teixeira, Christopher Stopera, et al.Physical Chemistry Chemical Physics : PCCP|February 15, 2019
Symmetry-breaking effects on time-dependent dynamics: correct differential cross sections and other properties in H+ + C2H4 at ELab = 30 eVPatrick M McLaurin, Ryan Merritt, Juan C Dominguez, et al.Cancers|May 9, 2018
Electron Nuclear Dynamics Simulations of Proton Cancer Therapy Reactions: Water Radiolysis and Proton- and Electron-Induced DNA Damage in Computational PrototypesErico S Teixeira, Karthik Uppulury, Austin J Privett, et al.The Journal of Physical Chemistry. A|April 28, 2009
Valence-bond/coherent-states approach to the charge equilibration model I. Valence-bond models for diatomic moleculesJorge A MoralesThe Journal of Chemical Physics|April 10, 2020
Temporally stable rotational coherent states for molecular simulations. I. Spherical and linear rotor casesChristopher Stopera, Jorge A MoralesJournal of Computational Chemistry|December 14, 2023
Testing standard basis sets for direct ionizations: H+ + H at ELab = 0.1-100 keVHyunsik Kim, Jorge A MoralesThe Journal of Chemical Physics|June 15, 2022
Temporally stable rotational coherent states for molecular simulations. II. Symmetric rotor caseChristopher Stopera, Jorge A MoralesPhysical Chemistry Chemical Physics : PCCP|February 22, 2023
An artificial neural network model to predict structure-based protein-protein free energy of binding from Rosetta-calculated propertiesMatheus V F Ferraz, José C S Neto, Roberto D Lins, et al.Pageof 3