Titus van Erp
Title
Cited by
Cited by
Year
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
4732003
Elaborating transition interface sampling methods
TS Van Erp, PG Bolhuis
Journal of computational Physics 205 (1), 157-181, 2005
2482005
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
1652004
Ab initio molecular dynamics study of liquid methanol
JW Handgraaf, TS van Erp, EJ Meijer
Chemical physics letters 367 (5-6), 617-624, 2003
962003
Reaction rate calculation by parallel path swapping
TS van Erp
Physical review letters 98 (26), 268301, 2007
882007
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
812004
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
792005
Bubbles and denaturation in DNA
TS Van Erp, S Cuesta-Lopez, M Peyrard
The European Physical Journal E 20 (4), 421-434, 2006
772006
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
752003
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
702001
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
642010
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
612011
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
551999
Dynamical rare event simulation techniques for equilibrium and nonequilibrium systems
TS Van Erp
Advances in Chemical Physics 151, 27, 2012
522012
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
522011
Simultaneous computation of free energies and kinetics of rare events
D Moroni, TS van Erp, PG Bolhuis
Physical Review E 71 (5), 056709, 2005
492005
Enantioselective adsorption of ibuprofen and lysine in metal–organic frameworks
R Bueno-Perez, A Martin-Calvo, P Gómez-Álvarez, JJ Gutiérrez-Sevillano, ...
Chemical Communications 50 (74), 10849-10852, 2014
432014
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
422013
Enantioselective adsorption in achiral zeolites
TS Van Erp, TP Caremans, D Dubbeldam, A Martin‐Calvo, S Calero, ...
Angewandte Chemie 122 (17), 3074-3077, 2010
382010
Efficiency analysis of reaction rate calculation methods using analytical models I: The two-dimensional sharp barrier
TS van Erp
The Journal of chemical physics 125 (17), 174106, 2006
372006
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Articles 1–20