Kristof Bal
Title
Cited by
Cited by
Year
Merging metadynamics into hyperdynamics: accelerated molecular simulations reaching time scales from microseconds to seconds
KM Bal, EC Neyts
Journal of chemical theory and computation 11 (10), 4545-4554, 2015
642015
Temperature influence on the reactivity of plasma species on a nickel catalyst surface: An atomic scale study
W Somers, A Bogaerts, ACT Van Duin, S Huygh, KM Bal, EC Neyts
Catalysis today 211, 131-136, 2013
392013
On the time scale associated with Monte Carlo simulations
KM Bal, EC Neyts
The Journal of chemical physics 141 (20), 204104, 2014
362014
Effect of plasma-induced surface charging on catalytic processes: Application to CO2 activation
KM Bal, S Huygh, A Bogaerts, EC Neyts
Plasma Sources Science and Technology 27 (2), 024001, 2018
342018
Direct observation of realistic-temperature fuel combustion mechanisms in atomistic simulations
KM Bal, EC Neyts
Chemical Science 7 (8), 5280-5286, 2016
322016
Establishing uniform acceptance in force biased Monte Carlo simulations
EC Neyts, BJ Thijsse, MJ Mees, KM Bal, G Pourtois
Journal of chemical theory and computation 8 (6), 1865-1869, 2012
252012
How process parameters and packing materials tune chemical equilibrium and kinetics in plasma-based CO2 conversion
Y Uytdenhouwen, KM Bal, I Michielsen, EC Neyts, V Meynen, P Cool, ...
Chemical Engineering Journal 372, 1253-1264, 2019
182019
Modelling molecular adsorption on charged or polarized surfaces: a critical flaw in common approaches
KM Bal, EC Neyts
Physical Chemistry Chemical Physics 20 (13), 8456-8459, 2018
162018
CO2 Activation on TiO2-Supported Cu5 and Ni5 Nanoclusters: Effect of Plasma-Induced Surface Charging
A Jafarzadeh, KM Bal, A Bogaerts, EC Neyts
The Journal of Physical Chemistry C 123 (11), 6516-6525, 2019
122019
Activation of CO2 on Copper Surfaces: The Synergy between Electric Field, Surface Morphology, and Excess Electrons
A Jafarzadeh, KM Bal, A Bogaerts, EC Neyts
The Journal of Physical Chemistry C 124 (12), 6747-6755, 2020
102020
Overcoming old scaling relations and establishing new correlations in catalytic surface chemistry: combined effect of charging and doping
KM Bal, EC Neyts
The Journal of Physical Chemistry C 123 (10), 6141-6147, 2019
92019
Mechanisms of elementary hydrogen ion-surface interactions during multilayer graphene etching at high surface temperature as a function of flux
DUB Aussems, KM Bal, TW Morgan, MCM van de Sanden, EC Neyts
Carbon 137, 527-532, 2018
92018
Effect of electric fields on plasma catalytic hydrocarbon oxidation from atomistic simulations
EC Neyts, KM Bal
Plasma Processes and Polymers 14 (6), 1600158, 2017
72017
Atomistic simulations of graphite etching at realistic time scales
DUB Aussems, KM Bal, TW Morgan, MCM Van De Sanden, EC Neyts
Chemical science 8 (10), 7160-7168, 2017
62017
High Coke Resistance of a TiO2 Anatase (001) Catalyst Surface during Dry Reforming of Methane
S Huygh, A Bogaerts, KM Bal, EC Neyts
The Journal of Physical Chemistry C 122 (17), 9389-9396, 2018
52018
On the kinetics and equilibria of plasma-based dry reforming of methane
Y Uytdenhouwen, KM Bal, EC Neyts, V Meynen, P Cool, A Bogaerts
Chemical Engineering Journal 405, 126630, 2021
32021
Free energy barriers from biased molecular dynamics simulations
KM Bal, S Fukuhara, Y Shibuta, EC Neyts
The Journal of Chemical Physics 153 (11), 114118, 2020
22020
Ensemble-Based Molecular Simulation of Chemical Reactions under Vibrational Nonequilibrium
KM Bal, A Bogaerts, EC Neyts
The journal of physical chemistry letters 11 (2), 401-406, 2019
22019
Entropic and enthalpic factors determining the thermodynamics and kinetics of carbon segregation from transition metal nanoparticles
S Fukuhara, KM Bal, EC Neyts, Y Shibuta
Carbon 171, 806-813, 2021
12021
Accelerated molecular dynamics simulation of large systems with parallel collective variable-driven hyperdynamics
S Fukuhara, KM Bal, EC Neyts, Y Shibuta
Computational Materials Science 177, 109581, 2020
12020
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Articles 1–20