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List of works by Kristof M. Bal

Atomistic simulations of graphite etching at realistic time scales.

scientific article published on 24 August 2017

Direct observation of realistic-temperature fuel combustion mechanisms in atomistic simulations

scientific article published on 05 May 2016

Effect of plasma-induced surface charging on catalytic processes: application to CO2 activation

Ensemble-Based Molecular Simulation of Chemical Reactions under Vibrational Nonequilibrium

scientific article published on 30 December 2019

Establishing Uniform Acceptance in Force Biased Monte Carlo Simulations

scientific article published on 22 May 2012

Free energy barriers from biased molecular dynamics simulations

scientific article published on 01 September 2020

High Coke Resistance of a TiO2 Anatase (001) Catalyst Surface during Dry Reforming of Methane

Merging metadynamics into hyperdynamics: accelerated molecular simulations reaching time scales from microseconds to seconds.

scientific article published in October 2015

Modelling molecular adsorption on charged or polarized surfaces: a critical flaw in common approaches.

scientific article published on 20 March 2018

On the time scale associated with Monte Carlo simulations

scientific article published on 01 November 2014

Reactive plasma cleaning and restoration of transition metal dichalcogenide monolayers

scientific article published on 28 January 2021

Reweighted Jarzynski Sampling: Acceleration of Rare Events and Free Energy Calculation with a Bias Potential Learned from Nonequilibrium Work

scientific article published on 29 October 2021

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