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  Author Title Year (down) Publication Volume Times cited Additional Links Links
Bal, K.M.; Neyts, E.C. Extending and validating bubble nucleation rate predictions in a Lennard-Jones fluid with enhanced sampling methods and transition state theory 2022 Journal Of Chemical Physics 157 UA library record; WoS full record; WoS citing articles url doi
Bal, K.M. Reweighted Jarzynski sampling : acceleration of rare events and free energy calculation with a bias potential learned from nonequilibrium work 2021 Journal Of Chemical Theory And Computation 17 UA library record; WoS full record; WoS citing articles pdf url doi
Bal, K.M. Nucleation rates from small scale atomistic simulations and transition state theory 2021 Journal Of Chemical Physics 155 UA library record; WoS full record; WoS citing articles url doi
Bal, K.M.; Neyts, E.C. Quantifying the impact of vibrational nonequilibrium in plasma catalysis: insights from a molecular dynamics model of dissociative chemisorption 2021 Journal Of Physics D-Applied Physics 54 UA library record; WoS full record; WoS citing articles pdf url doi
Marinov, D.; de Marneffe, J.-F.; Smets, Q.; Arutchelvan, G.; Bal, K.M.; Voronina, E.; Rakhimova, T.; Mankelevich, Y.; El Kazzi, S.; Nalin Mehta, A.; Wyndaele, P.-J.; Heyne, M.H.; Zhang, J.; With, P.C.; Banerjee, S.; Neyts, E.C.; Asselberghs, I.; Lin, D.; De Gendt, S. Reactive plasma cleaning and restoration of transition metal dichalcogenide monolayers 2021 npj 2D Materials and Applications 5 UA library record; WoS full record; WoS citing articles url doi
Izadi, M.E.; Bal, K.M.; Maghari, A.; Neyts, E.C. Reaction mechanisms of C(3PJ) and C+(2PJ) with benzene in the interstellar medium from quantum mechanical molecular dynamics simulations 2021 Physical Chemistry Chemical Physics 23 UA library record; WoS full record; WoS citing articles url doi
Fukuhara, S.; Bal, K.M.; Neyts, E.C.; Shibuta, Y. Entropic and enthalpic factors determining the thermodynamics and kinetics of carbon segregation from transition metal nanoparticles 2021 Carbon 171 UA library record; WoS full record; WoS citing articles pdf url doi
Bal, K.M.; Fukuhara, S.; Shibuta, Y.; Neyts, E.C. Free energy barriers from biased molecular dynamics simulations 2020 Journal Of Chemical Physics 153 UA library record; WoS full record; WoS citing articles pdf url doi
Jafarzadeh, A.; Bal, K.M.; Bogaerts, A.; Neyts, E.C. Activation of CO2on Copper Surfaces: The Synergy between Electric Field, Surface Morphology, and Excess Electrons 2020 Journal Of Physical Chemistry C 124 UA library record; WoS full record; WoS citing articles pdf url doi
Fukuhara, S.; Bal, K.M.; Neyts, E.C.; Shibuta, Y. Accelerated molecular dynamics simulation of large systems with parallel collective variable-driven hyperdynamics 2020 Computational Materials Science 177 UA library record; WoS full record; WoS citing articles pdf url doi
Bal, K.M.; Bogaerts, A.; Neyts, E.C. Ensemble-Based Molecular Simulation of Chemical Reactions under Vibrational Nonequilibrium 2020 Journal Of Physical Chemistry Letters 11 UA library record; WoS full record; WoS citing articles pdf url doi
Bal, K.M.; Neyts, E.C. Overcoming Old Scaling Relations and Establishing New Correlations in Catalytic Surface Chemistry: Combined Effect of Charging and Doping 2019 The journal of physical chemistry: C : nanomaterials and interfaces 123 5 UA library record; WoS full record; WoS citing articles pdf url doi
Jafarzadeh, A.; Bal, K.M.; Bogaerts, A.; Neyts, E.C. CO2 activation on TiO2-supported Cu5 and Ni5 nanoclusters : effect of plasma-induced surface charging 2019 The journal of physical chemistry: C : nanomaterials and interfaces 123 4 UA library record; WoS full record; WoS citing articles pdf url doi
Aussems, D.U.B.; Bal, K.M.; Morgan, T.W.; van de Sanden, M.C.M.; Neyts, E.C. Mechanisms of elementary hydrogen ion-surface interactions during multilayer graphene etching at high surface temperature as a function of flux 2018 Carbon 137 4 UA library record; WoS full record; WoS citing articles pdf url doi
Huygh, S.; Bogaerts, A.; Bal, K.M.; Neyts, E.C. High Coke Resistance of a TiO2Anatase (001) Catalyst Surface during Dry Reforming of Methane 2018 Journal Of Physical Chemistry C 122 1 UA library record; WoS full record; WoS citing articles pdf url doi
Bal, K.M.; Neyts, E.C. Modelling molecular adsorption on charged or polarized surfaces: a critical flaw in common approaches 2018 Physical chemistry, chemical physics 20 8 UA library record; WoS full record; WoS citing articles pdf url doi
Bal, K.M.; Huygh, S.; Bogaerts, A.; Neyts, E.C. Effect of plasma-induced surface charging on catalytic processes: application to CO2activation 2018 Plasma sources science and technology 27 19 UA library record; WoS full record; WoS citing articles pdf url doi
Neyts, E.C.; Bal, K.M. Effect of electric fields on plasma catalytic hydrocarbon oxidation from atomistic simulations 2017 Plasma processes and polymers 14 2 UA library record; WoS full record; WoS citing articles pdf doi
Bal, K.M.; Cautereels, J.; Blockhuys, F. Structures and spectroscopic properties of sulfur-nitrogen-pnictogen chains : R2P-N=S=N-PR2 and R2P-N=S=N-AsR2 2017 Journal of molecular structure 1132 UA library record; WoS full record pdf url doi
Bal, K.M.; Neyts, E.C. Direct observation of realistic-temperature fuel combustion mechanisms in atomistic simulations 2016 Chemical science 7 22 UA library record; WoS full record; WoS citing articles pdf url doi
Bal, K.M.; Neyts, E.C. Merging Metadynamics into Hyperdynamics: Accelerated Molecular Simulations Reaching Time Scales from Microseconds to Seconds 2015 Journal of chemical theory and computation 11 41 UA library record; WoS full record; WoS citing articles pdf url doi
Bal, K.M.; Neyts, E.C. On the time scale associated with Monte Carlo simulations 2014 The journal of chemical physics 141 26 UA library record; WoS full record; WoS citing articles url doi
Somers, W.; Bogaerts, A.; van Duin, A.C.T.; Huygh, S.; Bal, K.M.; Neyts, E.C. Temperature influence on the reactivity of plasma species on a nickel catalyst surface : an atomic scale study 2013 Catalysis today 211 27 UA library record; WoS full record; WoS citing articles pdf doi
Neyts, E.C.; Thijsse, B.J.; Mees, M.J.; Bal, K.M.; Pourtois, G. Establishing uniform acceptance in force biased Monte Carlo simulations 2012 Journal of chemical theory and computation 8 20 UA library record; WoS full record; WoS citing articles doi
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