| Author |
Title |
Year |
Publication |
Volume |
Times cited |
Additional Links |
| Berdiyorov, G.R.; Khalilov, U.; Hamoudi, H.; Neyts, E.C. |
Effect of chemical modification on electronic transport properties of carbyne |
2021 |
Journal Of Computational Electronics |
|
|
UA library record; WoS full record; WoS citing articles |
| Neyts, E.C.; Thijsse, B.J.; Mees, M.J.; Bal, K.M.; Pourtois, G. |
Establishing uniform acceptance in force biased Monte Carlo simulations |
2012 |
Journal of chemical theory and computation |
8 |
20 |
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. |
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.; 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.; 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 |
| Neyts, E.C.; van Duin, A.C.T.; Bogaerts, A. |
Changing chirality during single-walled carbon nanotube growth : a reactive molecular dynamics/Monte Carlo study |
2011 |
Journal of the American Chemical Society |
133 |
116 |
UA library record; WoS full record; WoS citing articles |
| Neyts, E.C.; van Duin, A.C.T.; Bogaerts, A. |
Insights in the plasma-assisted growth of carbon nanotubes through atomic scale simulations : effect of electric field |
2012 |
Journal of the American Chemical Society |
134 |
56 |
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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| Neyts, E.C.; Ostrikov, K.K.; Sunkara, M.K.; Bogaerts, A. |
Plasma Catalysis: Synergistic Effects at the Nanoscale |
2015 |
Chemical reviews |
115 |
204 |
UA library record; WoS full record; WoS citing articles |
| Shariat, M.; Shokri, B.; Neyts, E.C. |
On the low-temperature growth mechanism of single walled carbon nanotubes in plasma enhanced chemical vapor deposition |
2013 |
Chemical physics letters |
590 |
14 |
UA library record; WoS full record; WoS citing articles |
| Dabaghmanesh, S.; Neek-Amal, M.; Partoens, B.; Neyts, E.C. |
The formation of Cr2O3 nanoclusters over graphene sheet and carbon nanotubes |
2017 |
Chemical physics letters |
687 |
2 |
UA library record; WoS full record; WoS citing articles |
| 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 |
| Brault, P.; Neyts, E.C. |
Molecular dynamics simulations of supported metal nanocatalyst formation by plasma sputtering |
2015 |
Catalysis today |
256 |
18 |
UA library record; WoS full record; WoS citing articles |
| Neyts, E.C.; Ostrikov, K.(K.) |
Nanoscale thermodynamic aspects of plasma catalysis |
2015 |
Catalysis today |
256 |
14 |
UA library record; WoS full record; WoS citing articles |
| Nozaki, T.; Neyts, E.C.; Sankaran, M.; Ostrikov, K.(K.); Liu, C.-J. |
Plasmas for enhanced catalytic processes (ISPCEM 2014) |
2015 |
Catalysis today |
256 |
2 |
UA library record; WoS full record; WoS citing articles |
| Somers, W.; Bogaerts, A.; van Duin, A.C.T.; Huygh, S.; Bal, K.M.; Neyts, E.C. |
Temperature influence on the reactivity of plasma species on a nickel catalyst surface : an atomic scale study |
2013 |
Catalysis today |
211 |
27 |
UA library record; WoS full record; WoS citing articles |
| Neyts, E.C.; Bogaerts, A. |
Formation of endohedral Ni@C60 and exohedral NiC60 metallofullerene complexes by simulated ion implantation |
2009 |
Carbon |
47 |
15 |
UA library record; WoS full record; WoS citing articles |
| Neyts, E.C.; Bogaerts, A. |
Ion irradiation for improved graphene network formation in carbon nanotube growth |
2014 |
Carbon |
77 |
7 |
UA library record; WoS full record; WoS citing articles |
| Shariat, M.; Hosseini, S.I.; Shokri, B.; Neyts, E.C. |
Plasma enhanced growth of single walled carbon nanotubes at low temperature : a reactive molecular dynamics simulation |
2013 |
Carbon |
65 |
21 |
UA library record; WoS full record; WoS citing articles |
| Khalilov, U.; Bogaerts, A.; Neyts, E.C. |
Atomic-scale mechanisms of plasma-assisted elimination of nascent base-grown carbon nanotubes |
2017 |
Carbon |
118 |
2 |
UA library record; WoS full record; WoS citing articles |
