Research Explorer

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Researcher

Titus van Erp

Awards & Distinctions

8 Results

2024

Extending path memory to improve kinetics calculations in rare molecular processes

Elias WilsWouter VervustTitus van ErpAn Ghysels

Extending path memory to improve kinetics calculations in rare molecular processes

Elias WilsWouter VervustTitus van ErpAn Ghysels

2021

Exact non-Markovian permeability from rare event simulations

An GhyselsSander RoetSamaneh DavoudiTitus van Erp

A2 Journal Article in PHYSICAL REVIEW RESEARCH

Permeation rates of oxygen through a lipid bilayer using replica exchange transition interface sampling

Enrico RiccardiAndreas KrämerTitus van ErpAn Ghysels

A1 Journal Article in JOURNAL OF PHYSICAL CHEMISTRY B

2018

Diffusion of gas mixtures in the sI hydrate structure

Magnus H. WaageThuat T. TrinhTitus van Erp

A1 Journal Article in JOURNAL OF CHEMICAL PHYSICS

Improving the mesoscopic modeling of DNA denaturation dynamics

Marta Marty-RodaOda DahlenTitus van ErpSantiago Cuesta-López

A1 Journal Article in PHYSICAL BIOLOGY

Local initiation conditions for water autoionization

Mahmoud MoqadamAnders LervikEnrico RiccardiVishwesh VenkatramanBjørn Kåre AlsbergTitus van Erp

A1 Journal Article in PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Multiscale partial charge estimation on graphene for neutral, doped and charged flakes

Anastasiia MaslechkoToon VerstraelenTitus van ErpEnrico Riccardi

A1 Journal Article in PHYSICAL CHEMISTRY CHEMICAL PHYSICS