Titus van Erp

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Enrico RiccardiUiSVerified email at uis.no
Peter Bolhuisvan 't Hoff institute for Molecular Sciences, University of AmsterdamVerified email at uva.nl
Anders LervikResearcher, Department of Chemistry, NTNUVerified email at ntnu.no
Thuat T. TrinhNorwegian University of Science and Technology NTNUVerified email at ntnu.no
Santiago Cuesta-LopezFUNDACION ICAMCyLVerified email at icamcyl.com
Alexander AertsVerified email at sckcen.be
Sofia CaleroFull Professor, Eindhoven University of TechnologyVerified email at tue.nl
David DubbeldamUniversity of AmsterdamVerified email at uva.nl
Signe KjelstrupNorwegian University of Science and TechnologyVerified email at ntnu.no
Brian A. GrimesProfessor of Chemical Engineering, Norwegian University of Science and Technology (NTNU)Verified email at ntnu.no
Per-Olof ÅstrandNTNU - Norwegian University of Science and TechnologyVerified email at ntnu.no
Thijs VlugtProfessor and Chair Engineering ThermodynamicsVerified email at tudelft.nl
Jan VermantProfessor of Soft Materials, ETH ZürichVerified email at mat.ethz.ch
Aleksandar MehandzhiyskiLinköping UniversityVerified email at liu.se
Fengtao Fan116023Verified email at dicp.ac.cn
Dick BedeauxHoogleraar Fysische Chemie, Norwegian University of Science and TechnologyVerified email at chem.ntnu.no
Salim OkKuwait Institute for Scientific ResearchVerified email at uos.de
Mohamed HaouasCNRS researcher at ILV VersaillesVerified email at uvsq.fr
Vishwesh VenkatramanLonza BiologicsVerified email at lonza.com
Jasper JammaerVerified email at its.jnj.com

Titus van Erp

Full Professor, Theoretical Chemistry, Norwegian University of Science and Technology

Verified email at ntnu.no - Homepage

Molecular simulations statistical physics thermodynamics Monte Carlo Molecular Dynamics


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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	579	2003
Elaborating transition interface sampling methods TS Van Erp, PG Bolhuis Journal of computational Physics 205 (1), 157-181, 2005	317	2005
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	186	2004
Reaction rate calculation by parallel path swapping TS van Erp Physical review letters 98 (26), 268301, 2007	113	2007
Ab initio molecular dynamics study of liquid methanol JW Handgraaf, TS van Erp, EJ Meijer Chemical physics letters 367 (5-6), 617-624, 2003	105	2003
Bubbles and denaturation in DNA TS Van Erp, S Cuesta-Lopez, M Peyrard The European Physical Journal E 20, 421-434, 2006	97	2006
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	92	2004
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	90	2011
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	86	2003
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	84	2005
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	76	2001
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	72	2010
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	71	2018
Dynamical rare event simulation techniques for equilibrium and nonequilibrium systems TS Van Erp Advances in Chemical Physics 151, 27, 2012	71	2012
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	70	2011
A standardization for BET fitting of adsorption isotherms TS Van Erp, JA Martens Microporous and Mesoporous Materials 145 (1-3), 188-193, 2011	65	2011
Enantioselective adsorption of ibuprofen and lysine in metal–organic frameworks JH Thijs, TS ávan Erp Chemical Communications 50 (74), 10849-10852, 2014	60	2014
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	56	1999
Simultaneous computation of free energies and kinetics of rare events D Moroni, TS van Erp, PG Bolhuis Physical Review E—Statistical, Nonlinear, and Soft Matter Physics 71 (5 …, 2005	52	2005
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	51	2017

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