Titus S van Erp

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 16

Top Topics

Depressive Symptoms

Molecular Dynamics

Top Venues

Proceedings of the National Academy of Sciences of the United States of America

Journal of computational chemistry

The Journal of chemical physics

Physical chemistry chemical physics : PCCP

This page only lists publications with an associated author ORCID identifier.

Publications

Daniel T Zhang, Lukas Baldauf, Sander Roet, Anders Lervik, Titus S van Erp
Highly parallelizable path sampling with minimal rejections using asynchronous replica exchange and infinite swaps. Proceedings of the National Academy of Sciences of the United States of America 121 (7) (2024)
Wouter Vervust, Daniel T Zhang, An Ghysels, Sander Roet, Titus S van Erp, Enrico Riccardi
PyRETIS 3: Conquering rare and slow events without boundaries. Journal of computational chemistry 45 (15) (2024)
Wouter Vervust, Daniel T Zhang, An Ghysels, Sander Roet, Titus S van Erp, Enrico Riccardi
PyRETIS 3: Conquering rare and slow events without boundaries. Journal of computational chemistry 45 (15) (2024)
Daniel T Zhang, Lukas Baldauf, Sander Roet, Anders Lervik, Titus S van Erp
Highly parallelizable path sampling with minimal rejections using asynchronous replica exchange and infinite swaps. Proceedings of the National Academy of Sciences of the United States of America 121 (7) (2024)
Wouter Vervust, Daniel T Zhang, An Ghysels, Sander Roet, Titus S van Erp, Enrico Riccardi
PyRETIS 3: Conquering rare and slow events without boundaries. Journal of computational chemistry (2024)
Daniel T Zhang, Lukas Baldauf, Sander Roet, Anders Lervik, Titus S van Erp
Highly parallelizable path sampling with minimal rejections using asynchronous replica exchange and infinite swaps. Proceedings of the National Academy of Sciences of the United States of America 121 (7) (2024)
Daniel T Zhang, Lukas Baldauf, Sander Roet, Anders Lervik, Titus S van Erp
Highly parallelizable path sampling with minimal rejections using asynchronous replica exchange and infinite swaps. Proceedings of the National Academy of Sciences of the United States of America 121 (7) (2024)
Daniel T Zhang, Enrico Riccardi, Titus S van Erp
Enhanced path sampling using subtrajectory Monte Carlo moves. The Journal of chemical physics 158 (2) (2023)
Sander Roet, Daniel T Zhang, Titus S van Erp
Exchanging Replicas with Unequal Cost, Infinitely and Permanently. The journal of physical chemistry. A 126 (47) (2022)
Anders Lervik, Ingeborg-Helene Svenum, Zhaohui Wang, Raffaela Cabriolu, Enrico Riccardi, Stefan Andersson, Titus S van Erp
The role of pressure and defects in the wurtzite to rock salt transition in cadmium selenide. Physical chemistry chemical physics : PCCP 24 (14) (2022)
Enrico Riccardi, Andreas Krämer, Titus S van Erp, An Ghysels
Permeation Rates of Oxygen through a Lipid Bilayer Using Replica Exchange Transition Interface Sampling. The journal of physical chemistry. B 125 (1) (2020)
Enrico Riccardi, Anders Lervik, Sander Roet, Ola Aarøen, Titus S van Erp
PyRETIS 2: An improbability drive for rare events. Journal of computational chemistry 41 (4) (2019)
Magnus H Waage, Thuat T Trinh, Titus S van Erp
Diffusion of gas mixtures in the sI hydrate structure. The Journal of chemical physics 148 (21) (2018)
Mahmoud Moqadam, Anders Lervik, Enrico Riccardi, Vishwesh Venkatraman, Bjørn Kåre Alsberg, Titus S van Erp
Local initiation conditions for water autoionization. Proceedings of the National Academy of Sciences of the United States of America 115 (20) (2018)
Anders Lervik, Enrico Riccardi, Titus S van Erp
PyRETIS: A well-done, medium-sized python library for rare events. Journal of computational chemistry 38 (28) (2017)
Enrico Riccardi, Oda Dahlen, Titus S van Erp
Fast Decorrelating Monte Carlo Moves for Efficient Path Sampling. The journal of physical chemistry letters 8 (18) (2017)