K
Kristof M. Bal
Researcher at University of Antwerp
Publications - 33
Citations - 646
Kristof M. Bal is an academic researcher from University of Antwerp. The author has contributed to research in topics: Molecular dynamics & Nucleation. The author has an hindex of 12, co-authored 32 publications receiving 442 citations.
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Merging metadynamics into hyperdynamics: accelerated molecular simulations reaching time scales from microseconds to seconds.
Kristof M. Bal,Erik C. Neyts +1 more
TL;DR: A generally applicable implementation of the hyperdynamics algorithm, borrowing two concepts from metadynamics: the use of a collective variable (CV) to represent the accelerated dynamics and the construction of a suitable history-dependent bias potential on-the-fly.
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How process parameters and packing materials tune chemical equilibrium and kinetics in plasma-based CO2 conversion
Y. Uytdenhouwen,Kristof M. Bal,Inne Michielsen,Erik C. Neyts,Vera Meynen,Pegie Cool,Annemie Bogaerts +6 more
TL;DR: In this article, the authors investigate the existence of partial chemical equilibrium (PCE) and how process parameters and packing properties influence this equilibrium, as well as the overall apparent rate coefficient, for CO2 splitting in a DBD plasma reactor.
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Direct observation of realistic-temperature fuel combustion mechanisms in atomistic simulations.
Kristof M. Bal,Erik C. Neyts +1 more
TL;DR: Advanced accelerated molecular dynamics simulations provide a detailed atomic-level picture of combustion at realistic temperatures and pressures.
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Effect of plasma-induced surface charging on catalytic processes: application to CO 2 activation
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On the time scale associated with Monte Carlo simulations
Kristof M. Bal,Erik C. Neyts +1 more
TL;DR: The pitfalls of using the method as a replacement or complement of molecular dynamics simulations, its ability to explicitly describe correct dynamics and reaction mechanisms, and the association of timescales to MC simulations in general are addressed.