Author  |
Title |
Year |
Publication |
Volume |
Times cited |
Additional Links |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| Bal, K. |
New ways to bridge the gap between microscopic simulations and macroscopic chemistry |
2018 |
|
|
|
UA library record |
| Bahnamiri, O.S.; Verheyen, C.; Snyders, R.; Bogaerts, A.; Britun, N. |
Nitrogen fixation in pulsed microwave discharge studied by infrared absorption combined with modelling |
2021 |
Plasma Sources Science & Technology |
30 |
|
UA library record; WoS full record; WoS citing articles |
| Baguer, N.; Neyts, E.; van Gils, S.; Bogaerts, A. |
Study of atmospheric MOCVD of TiO2 thin films by means of computational fluid dynamics simulations |
2008 |
Chemical vapor deposition |
14 |
14 |
UA library record; WoS full record; WoS citing articles |
| Baguer, N.; Georgieva, V.; Calderin, L.; Todorov, I.T.; van Gils, S.; Bogaerts, A. |
Study of the nucleation and growth of TiO2 and ZnO thin films by means of molecular dynamics simulations |
2009 |
Journal of crystal growth |
311 |
23 |
UA library record; WoS full record; WoS citing articles |
| Baguer, N.; Bogaerts, A.; Gijbels, R. |
Hybrid model for a cylindrical hollow cathode glow discharge and comparison with experiments |
2002 |
Spectrochimica acta: part B : atomic spectroscopy |
57 |
31 |
UA library record; WoS full record; WoS citing articles |
| Baguer, N.; Bogaerts, A.; Gijbels, R. |
Role of the fast Ar atoms, Ar+ ions and metastable Ar atoms in a hollow cathode glow discharge: study by a hybrid model |
2003 |
Journal of applied physics |
94 |
19 |
UA library record; WoS full record; WoS citing articles |
| Baguer, N.; Bogaerts, A.; Gijbels, R. |
A self-consistent mathematical model of a hollow cathode glow discharge |
1999 |
|
|
|
UA library record; WoS full record; |
| Baguer, N.; Bogaerts, A.; Gijbels, R. |
Study of a hollow cathode glow discharge in He: Monte Carlo-fluid model combined with a transport model for the metastable atoms |
2003 |
Journal of applied physics |
93 |
24 |
UA library record; WoS full record; WoS citing articles |
| Baguer, N.; Bogaerts, A.; Donko, Z.; Gijbels, R.; Sadeghi, N. |
Study of the Ar metastable atom population in a hollow cathode discharge by means of a hybrid model and spectrometric measurements |
2005 |
Journal of applied physics |
97 |
40 |
UA library record; WoS full record; WoS citing articles |
| Baguer, N.; Bogaerts, A. |
Study of the sputtered Cu atoms and Cu+ ions in a hollow cathode glow discharge using a hybrid model |
2005 |
Journal of applied physics |
98 |
18 |
UA library record; WoS full record; WoS citing articles |
| Autrique, D.; Gornushkin, I.; Alexiades, V.; Chen, Z.; Bogaerts, A.; Rethfeld, B. |
Revisiting the interplay between ablation, collisional, and radiative processes during ns-laser ablation |
2013 |
Applied physics letters |
103 |
13 |
UA library record; WoS full record; WoS citing articles |
| Autrique, D.; Clair, G.; L'Hermite, D.; Alexiades, V.; Bogaerts, A.; Rethfeld, B. |
The role of mass removal mechanisms in the onset of ns-laser induced plasma formation |
2013 |
Journal of applied physics |
114 |
31 |
UA library record; WoS full record; WoS citing articles |
| Autrique, D.; Bogaerts, A.; Lindner, H.; Garcia, C.C.; Niemax, K. |
Design analysis of a laser ablation cell for inductively coupled plasma mass spectrometry by numerical simulation |
2008 |
Spectrochimica acta: part B : atomic spectroscopy |
63 |
26 |
UA library record; WoS full record; WoS citing articles |
| Autrique, D. |
Multiphase modelling of a ns-laser-irradiated copper sample |
2014 |
|
|
|
UA library record |
| Aussems, D.U.B.; Bal, K. M.; Morgan, T.W.; van de Sanden, M.C.M.; Neyts, E.C. |
Atomistic simulations of graphite etching at realistic time scales |
2017 |
Chemical science |
8 |
3 |
UA library record; WoS full record; WoS citing articles |
| 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 |
| Attri, P.; Yusupov, M.; Park, J.H.; Lingamdinne, L.P.; Koduru, J.R.; Shiratani, M.; Choi, E.H.; Bogaerts, A. |
Mechanism and comparison of needle-type non-thermal direct and indirect atmospheric pressure plasma jets on the degradation of dyes |
2016 |
Scientific reports |
6 |
23 |
UA library record; WoS full record; WoS citing articles |
