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Titus van Erp
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A novel path sampling method for the calculation of rate constants
TS Van Erp, D Moroni, PG Bolhuis
The Journal of chemical physics 118 (17), 7762-7774, 2003
5522003
Elaborating transition interface sampling methods
TS Van Erp, PG Bolhuis
Journal of computational Physics 205 (1), 157-181, 2005
3012005
Rate constants for diffusive processes by partial path sampling
D Moroni, PG Bolhuis, TS van Erp
The Journal of chemical physics 120 (9), 4055-4065, 2004
1832004
Reaction rate calculation by parallel path swapping
TS van Erp
Physical review letters 98 (26), 268301, 2007
1072007
Ab initio molecular dynamics study of liquid methanol
JW Handgraaf, TS van Erp, EJ Meijer
Chemical physics letters 367 (5-6), 617-624, 2003
1022003
Bubbles and denaturation in DNA
TS Van Erp, S Cuesta-Lopez, M Peyrard
The European Physical Journal E 20, 421-434, 2006
912006
Investigating rare events by transition interface sampling
D Moroni, TS van Erp, PG Bolhuis
Physica A: Statistical Mechanics and its Applications 340 (1-3), 395-401, 2004
912004
Ab initio molecular dynamics study of aqueous solvation of ethanol and ethylene
TS Van Erp, EJ Meijer
The Journal of chemical physics 118 (19), 8831-8840, 2003
842003
29Si NMR and UV−Raman Investigation of Initial Oligomerization Reaction Pathways in Acid-Catalyzed Silica Sol−Gel Chemistry
A Depla, D Lesthaeghe, TS van Erp, A Aerts, K Houthoofd, F Fan, C Li, ...
The Journal of Physical Chemistry C 115 (9), 3562-3571, 2011
812011
Can one predict DNA transcription start sites by studying bubbles?
TS van Erp, S Cuesta-Lopez, JG Hagmann, M Peyrard
Physical review letters 95 (21), 218104, 2005
802005
Hydration of methanol in water. A DFT-based molecular dynamics study
TS van Erp, EJ Meijer
Chemical Physics Letters 333 (3-4), 290-296, 2001
772001
Investigation of the Mechanism of Colloidal Silicalite‐1 Crystallization by Using DLS, SAXS, and 29Si NMR Spectroscopy
A Aerts, M Haouas, TP Caremans, LRA Follens, TS van Erp, F Taulelle, ...
Chemistry–A European Journal 16 (9), 2764-2774, 2010
722010
Continuous Synthesis Process of Hexagonal Nanoplates of P6m Ordered Mesoporous Silica
J Jammaer, TS van Erp, A Aerts, CEA Kirschhock, JA Martens
Journal of the American Chemical Society 133 (34), 13737-13745, 2011
692011
Dynamical rare event simulation techniques for equilibrium and nonequilibrium systems
TS Van Erp
Advances in Chemical Physics 151, 27, 2012
672012
Local initiation conditions for water autoionization
M Moqadam, A Lervik, E Riccardi, V Venkatraman, BK Alsberg, ...
Proceedings of the National Academy of Sciences 115 (20), E4569-E4576, 2018
662018
Enantioselective adsorption of ibuprofen and lysine in metal–organic frameworks
JH Thijs, TS ávan Erp
Chemical Communications 50 (74), 10849-10852, 2014
562014
Pinning and phonon localization in Frenkel-Kontorova models on quasiperiodic substrates
TS Van Erp, A Fasolino, O Radulescu, T Janssen
Physical Review B 60 (9), 6522, 1999
541999
Efficient numerical reconstruction of protein folding kinetics with partial path sampling and pathlike variables
J Juraszek, G Saladino, TS Van Erp, FL Gervasio
Physical Review Letters 110 (10), 108106, 2013
512013
A standardization for BET fitting of adsorption isotherms
TS Van Erp, JA Martens
Microporous and Mesoporous Materials 145 (1-3), 188-193, 2011
512011
Foundations and latest advances in replica exchange transition interface sampling
R Cabriolu, KM Skjelbred Refsnes, PG Bolhuis, TS van Erp
The Journal of Chemical Physics 147 (15), 2017
492017
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