Maarten Cools‐Ceuppens - Publications, H-index & Citations

Maarten Cools‐Ceuppens

Ghent University

6H指数

13论文数

280被引数

收录论文 5

发表时间

Nuclear quantum effects on zeolite proton hopping kinetics explored with machine learning potentials and path integral molecular dynamics

NATURE COMMUNICATIONS

IF15.7

2023-02-23

OAAI

Bocus, Massimo; Goeminne, Ruben; Lamaire, Aran; Cools-Ceuppens, Maarten; Verstraelen, Toon; Van Speybroeck, Veronique

Machine learning potentials for metal-organic frameworks using an incremental learning approach

NPJ COMPUTATIONAL MATERIALS

IF11.9

2023-02-06

OAAI

Vandenhaute, Sander; Cools-Ceuppens, Maarten; DeKeyser, Simon; Verstraelen, Toon; Van Speybroeck, Veronique

Quantum Free Energy Profiles for Molecular Proton Transfers

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2022-12-23

OAAI

Lamaire, Aran; Cools-Ceuppens, Maarten; Bocus, Massimo; Verstraelen, Toon; Van Speybroeck, Veronique

Modeling Electronic Response Properties with an Explicit-Electron Machine Learning Potential

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2022-02-16

OAAI

Cools-Ceuppens, Maarten; Dambre, Joni; Verstraelen, Toon

IOData: A python library for reading, writing, and converting computational chemistry file formats and generating input files IOData: 一个python库，用于读取、写入和转换计算化学文件格式并生成输入文件

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2020-12-27

OAAI

Verstraelen, Toon; Adams, William; Pujal, Leila; Tehrani, Alireza; Kelly, Braden D.; Macaya, Luis; Meng, Fanwang; Richer, Michael; Hernandez-Esparza, Raymundo; Yang, Xiaotian Derrick; Chan, Matthew; Kim, Taewon David; Cools-Ceuppens, Maarten; Chuiko, Valerii; Vohringer-Martinez, Esteban; Ayers, Paul W.; Heidar-Zadeh, Farnaz

研究方向