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Author |
Title |
Year |
Publication  |
Volume |
Times cited |
Additional Links |
Links |
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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 |
|
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Gou, F.; Neyts, E.; Eckert, M.; Tinck, S.; Bogaerts, A. |
Molecular dynamics simulations of Cl+ etching on a Si(100) surface |
2010 |
Journal of applied physics |
107 |
15 |
UA library record; WoS full record; WoS citing articles |
|
|
|
Neyts, E.; Yan, M.; Bogaerts, A.; Gijbels, R. |
Particle-in-cell/Monte Carlo simulations of a low-pressure capacitively coupled radio-frequency discharge: effect of adding H2 to an Ar discharge |
2003 |
Journal of applied physics |
93 |
15 |
UA library record; WoS full record; WoS citing articles |
|
|
|
Neyts, E.; Bogaerts, A.; van de Sanden, M.C.M. |
Unraveling the deposition mechanism in a-C:H thin-film growth: a molecular-dynamics study for the reaction behavior of C3 and C3H radicals with a-C:H surfaces |
2006 |
Journal of applied physics |
99 |
25 |
UA library record; WoS full record; WoS citing articles |
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|
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Khalilov, U.; Uljayev, U.; Mehmonov, K.; Nematollahi, P.; Yusupov, M.; Neyts, E.C.; Neyts, E.C. |
Can endohedral transition metals enhance hydrogen storage in carbon nanotubes? |
2024 |
International journal of hydrogen energy |
55 |
|
UA library record; WoS full record; WoS citing articles |
|
|
|
Neyts, E.; Bogaerts, A.; van de Sanden, M.C.M. |
Modeling PECVD growth of nanostructured carbon materials |
2009 |
High temperature material processes |
13 |
|
UA library record; WoS full record; WoS citing articles |
|
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Bogaerts, A.; de Bleecker, K.; Georgieva, V.; Herrebout, D.; Kolev, I.; Madani, M.; Neyts, E. |
Numerical modeling for a better understanding of gas discharge plasmas |
2005 |
High temperature material processes |
9 |
1 |
UA library record; WoS full record; WoS citing articles |
|
|
|
Neyts, E.C. |
The role of ions in plasma catalytic carbon nanotube growth : a review |
2015 |
Frontiers of Chemical Science and Engineering |
9 |
8 |
UA library record; WoS full record; WoS citing articles |
|
|
|
Neyts, E.C. |
Atomistic simulations of plasma catalytic processes |
2018 |
Frontiers of Chemical Science and Engineering |
12 |
5 |
UA library record; WoS full record; WoS citing articles |
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Brault, P.; Chamorro-Coral, W.; Chuon, S.; Caillard, A.; Bauchire, J.-M.; Baranton, S.; Coutanceau, C.; Neyts, E. |
Molecular dynamics simulations of initial Pd and PdO nanocluster growth in a magnetron gas aggregation source |
2019 |
Frontiers of Chemical Science and Engineering |
13 |
3 |
UA library record; WoS full record; WoS citing articles |
|
|
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Neyts, E.C. |
Special Issue on future directions in plasma nanoscience |
2019 |
Frontiers of Chemical Science and Engineering |
13 |
|
UA library record; WoS full record; WoS citing articles |
|
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Cassimon, J.; Kovács, A.; Neyts, E.; Cornet, I.; Billen, P. |
Deacetylation of mannosylerythritol lipids in hydrophobic natural deep eutectic solvents |
2023 |
European journal of organic chemistry |
27 |
|
UA library record |
|
|
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Neyts, E.C.; Bogaerts, A. |
Modeling the growth of SWNTs and graphene on the atomic scale |
2012 |
ECS transactions |
45 |
2 |
UA library record; WoS full record; WoS citing articles |
|
|
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Neyts, E.; Bogaerts, A.; Gijbels, R.; Benedikt, J.; van den Sanden, M.C.M. |
Molecular dynamics simulations for the growth of diamond-like carbon films from low kinetic energy species |
2004 |
Diamond and related materials |
13 |
53 |
UA library record; WoS full record; WoS citing articles |
|
|
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Liu, Y.H.; Neyts, E.; Bogaerts, A. |
Monte Carlo method for simulations of adsorbed atom diffusion on a surface |
2006 |
Diamond and related materials |
15 |
5 |
UA library record; WoS full record; WoS citing articles |
|
|
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Neyts, E.; Tacq, M.; Bogaerts, A. |
Reaction mechanisms of low-kinetic energy hydrocarbon radicals on typical hydrogenated amorphous carbon (a-C:H) sites: a molecular dynamics study |
2006 |
Diamond and related materials |
15 |
18 |
UA library record; WoS full record; WoS citing articles |
|
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Eckert, M.; Neyts, E.; Bogaerts, A. |
Modeling adatom surface processes during crystal growth: a new implementation of the Metropolis Monte Carlo algorithm |
2009 |
CrystEngComm |
11 |
15 |
UA library record; WoS full record; WoS citing articles |
|
|
|
Eckert, M.; Neyts, E.; Bogaerts, A. |
Differences between ultrananocrystalline and nanocrystalline diamond growth: theoretical investigation of CxHy species at diamond step edges |
2010 |
Crystal growth & design |
10 |
11 |
UA library record; WoS full record; WoS citing articles |
|
|
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Eckert, M.; Neyts, E.; Bogaerts, A. |
Insights into the growth of (ultra)nanocrystalline diamond by combined molecular dynamics and Monte Carlo simulations |
2010 |
Crystal growth & design |
10 |
13 |
UA library record; WoS full record; WoS citing articles |
|
|
|
Huygh, S.; Bogaerts, A.; van Duin, A.C.T.; Neyts, E.C. |
Development of a ReaxFF reactive force field for intrinsic point defects in titanium dioxide |
2014 |
Computational materials science |
95 |
15 |
UA library record; WoS full record; WoS citing articles |
|
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Grubova, I.Y.; Surmeneva, M.A.; Huygh, S.; Surmenev, R.A.; Neyts, E.C. |
Effects of silicon doping on strengthening adhesion at the interface of the hydroxyapatite-titanium biocomposite : a first-principles study |
2019 |
Computational materials science |
159 |
1 |
UA library record; WoS full record; WoS citing articles |
|
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Fukuhara, S.; Bal, K.M.; Neyts, E.C.; Shibuta, Y. |
Accelerated molecular dynamics simulation of large systems with parallel collective variable-driven hyperdynamics |
2020 |
Computational Materials Science |
177 |
|
UA library record; WoS full record; WoS citing articles |
|
|
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Kovács, A.; Billen, P.; Cornet, I.; Wijnants, M.; Neyts, E.C. |
Modeling the physicochemical properties of natural deep eutectic solvents : a review |
2020 |
Chemsuschem |
13 |
|
UA library record; WoS full record; WoS citing articles |
|
|
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Khalilov, U.; Pourtois, G.; van Duin, A.C.T.; Neyts, E.C. |
Self-limiting oxidation in small-diameter Si nanowires |
2012 |
Chemistry of materials |
24 |
45 |
UA library record; WoS full record; WoS citing articles |
|
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Eckert, M.; Mortet, V.; Zhang, L.; Neyts, E.; Verbeeck, J.; Haenen, ken; Bogaerts, A. |
Theoretical investigation of grain size tuning during prolonged bias-enhanced nucleation |
2011 |
Chemistry of materials |
23 |
9 |
UA library record; WoS full record; WoS citing articles |
|
|
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Neyts, E.; Eckert, M.; Bogaerts, A. |
Molecular dynamics simulations of the growth of thin a-C:H films under additional ion bombardment: influence of the growth species and the Ar+ ion kinetic energy |
2007 |
Chemical vapor deposition |
13 |
14 |
UA library record; WoS full record; WoS citing articles |
|
|
|
Eckert, M.; Neyts, E.; Bogaerts, A. |
Molecular dynamics simulations of the sticking and etch behavior of various growth species of (ultra)nanocrystalline diamond films |
2008 |
Chemical vapor deposition |
14 |
25 |
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 |
|
|
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Van der Paal, J.; Neyts, E.C.; Verlackt, C.C.W.; Bogaerts, A. |
Effect of lipid peroxidation on membrane permeability of cancer and normal cells subjected to oxidative stress |
2016 |
Chemical science |
7 |
106 |
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 |
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