Titus S. van Erp

Norwegian University of Science and Technology — Norway

Physics and Astronomy · Physical Sciences

30h-index2.9kcitations88works2.42yr avg
OpenAlex↗ORCID↗Google Scholar↗Lab page↗

Accepting Students?

No reports yet. Know if this professor is taking students?

Research Topics

Spectroscopy and Quantum Chemical Studies(29), Protein Structure and Dynamics(19), Advanced Chemical Physics Studies(17), DNA and Nucleic Acid Chemistry(11), Zeolite Catalysis and Synthesis(9)

Publications88 total

Generalized Path Reweighting and History-Dependent Free Energies
arXiv (Cornell University)·2026Open Access
Generalized Path Reweighting and History-Dependent Free Energies
ArXiv.org·2026Open Access
BPS2026 – Capturing rare events with new path sampling algorithms: Exact membrane permeation kinetics of 5-ALA from ∞RETIS simulations
Biophysical Journal·2026
Membrane Pore Formation Unveiled by ∞RETIS Path Sampling: From Thinning to Flip-Flop
Journal of Chemical Theory and Computation·2026Open Access
Exact Kinetics of Drug Permeation Using Transition Interface Sampling
The Journal of Physical Chemistry B·2025· 2 citedOpen Access
NaCl Dissociation Explored Through Predictive Power Path Sampling Analysis
Journal of Chemical Theory and Computation·2025· 2 citedOpen Access
Path sampling challenges in large biomolecular systems: RETIS and REPPTIS for ABL-imatinib kinetics
Biophysical Journal·2025· 2 citedOpen Access
PyRETIS 3: Conquering rare and slow events without boundaries
Journal of Computational Chemistry·2024· 9 citedOpen Access
Highly parallelizable path sampling with minimal rejections using asynchronous replica exchange and infinite swaps
Proceedings of the National Academy of Sciences·2024· 7 citedOpen Access
Predicting Silica Deposition from Superheated, Pressurized Steam Using Numerical Modeling of Nucleation, Agglomeration and Deposition
Energies·2023· 4 citedOpen Access
How far can we stretch the timescale with RETIS?
Europhysics Letters (EPL)·2023· 5 citedOpen Access
Path sampling with memory reduction and replica exchange to reach long permeation timescales
Biophysical Journal·2023· 8 citedOpen Access
Enhanced path sampling using subtrajectory Monte Carlo moves
The Journal of Chemical Physics·2022· 9 citedOpen Access
Exchanging Replicas with Unequal Cost, Infinitely and Permanently
The Journal of Physical Chemistry A·2022· 10 citedOpen Access
Enhanced path sampling using subtrajectory Monte Carlo moves
arXiv (Cornell University)·2022· 1 citedOpen Access
Exchanging replicas with unequal cost, infinitely and permanently
arXiv (Cornell University)·2022Open Access
The role of pressure and defects in the wurtzite to rock salt transition in cadmium selenide
Physical Chemistry Chemical Physics·2022· 7 cited
Thin film breakage in oil–in–water emulsions, a multidisciplinary study
Colloids and Surfaces A Physicochemical and Engineering Aspects·2021· 9 citedOpen Access
Exact non-Markovian permeability from rare event simulations
Physical Review Research·2021· 20 citedOpen Access
Permeation Rates of Oxygen through a Lipid Bilayer Using Replica Exchange Transition Interface Sampling
The Journal of Physical Chemistry B·2020· 16 citedOpen Access
page 1 of 5Next →

Frequent Co-authors

Enrico Riccardi(13), Johan A. Martens(10), Thuat T. Trinh(8), Peter G. Bolhuis(6), Anders Lervik(6), Tom P. Caremans(6), Alexander Aerts(5), Christine E. A. Kirschhock(5), Sofı́a Calero(5), Mahmoud Moqadam(4), David Dubbeldam(4), Sander Roet(4), Daniele Moroni(3), Evert Jan Meijer(3), Santiago Cuesta‐López(3), Michel Peyrard(3), Ana Martín-Calvo(3), Signe Kjelstrup(3), An Ghysels(3), Daniel T. Zhang(3)