| 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 | 129 | 2015 |
| Direct observation of realistic-temperature fuel combustion mechanisms in atomistic simulations KM Bal, EC Neyts Chemical Science 7 (8), 5280-5286, 2016 | 75 | 2016 |
| 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 | 73 | 2018 |
| 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 | 69 | 2019 |
| On the time scale associated with Monte Carlo simulations KM Bal, EC Neyts The Journal of chemical physics 141 (20), 2014 | 66 | 2014 |
| 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 | 48 | 2021 |
| 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 | 45 | 2020 |
| 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 | 45 | 2013 |
| Reactive plasma cleaning and restoration of transition metal dichalcogenide monolayers D Marinov, JF de Marneffe, Q Smets, G Arutchelvan, KM Bal, E Voronina, ... npj 2D Materials and Applications 5 (1), 17, 2021 | 40 | 2021 |
| 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 | 39 | 2019 |
| 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 | 35 | 2012 |
| 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 | 32 | 2018 |
| Free energy barriers from biased molecular dynamics simulations KM Bal, S Fukuhara, Y Shibuta, EC Neyts The Journal of Chemical Physics 153 (11), 2020 | 29 | 2020 |
| 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 | 17 | 2019 |
| 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 | 15 | 2020 |
| 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 | 14 | 2018 |
| 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 | 9 | 2018 |
| 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 | 8 | 2019 |
| 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 | 8 | 2017 |
| Reweighted Jarzynski sampling: Acceleration of rare events and free energy calculation with a bias potential learned from nonequilibrium work KM Bal Journal of chemical theory and computation 17 (11), 6766-6774, 2021 | 7 | 2021 |
Erik C. NeytsFull Professor - Chemistry - University of AntwerpVerified email at uantwerpen.be