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The Journal of Chemical Physics|July 28, 2007
Continuum mesoscopic framework for multiple interacting species and processes on multiple site types and/or crystallographic planesAbhijit Chatterjee, Dionisios G VlachosNature Communications|October 8, 2015
Patched bimetallic surfaces are active catalysts for ammonia decompositionWei Guo, Dionisios G VlachosChemical Science|June 4, 2021
Surface chemistry dictates stability and oxidation state of supported single metal catalyst atomsKonstantinos Alexopoulos, Dionisios G VlachosThe Journal of Chemical Physics|April 25, 2008
Molecular dynamics of hydrogen dissociation on an oxygen covered Pt(111) surfaceJeffery Ludwig, Dionisios G VlachosThe Journal of Chemical Physics|October 24, 2007
Ab initio molecular dynamics of hydrogen dissociation on metal surfaces using neural networks and novelty samplingJeffery Ludwig, Dionisios G VlachosComputers & Chemical Engineering|October 25, 2011
Equivalence of on-Lattice Stochastic Chemical Kinetics with the Well-Mixed Chemical Master Equation in the Limit of Fast DiffusionMichail Stamatakis, Dionisios G VlachosThe Journal of Chemical Physics|February 18, 2006
Multiscale spatial Monte Carlo simulations: multigriding, computational singular perturbation, and hierarchical stochastic closuresAbhijit Chatterjee, Dionisios G VlachosJournal of Chemical Information and Modeling|September 23, 2020
Thermochemical Data Fusion Using Graph Representation LearningHimaghna Bhattacharjee, Dionisios G VlachosChemical Science|May 1, 2023
Reconciling experimental catalytic data stemming from structure sensitivityXue Zong, Dionisios G VlachosJournal of the American Chemical Society|June 10, 2016
Conjugation-Driven "Reverse Mars-van Krevelen"-Type Radical Mechanism for Low-Temperature C-O Bond ActivationAlexander V Mironenko, Dionisios G VlachosPageof 17