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2025	Optimization of thermal co-processing of coal/sludges for syngas, NH3, and H2SO4 production with straw hydrolysis Environmental Science and Pollution Research Paul Chinonso Ogugua, Huihui Su, Zhou Jinyang, Enlu Wang, Qi Wang
2025	Path sampling challenges in large biomolecular systems: RETIS and REPPTIS for ABL-imatinib kinetics Biophysical Journal Wouter Vervust, Daniel T. Zhang, Enrico Riccardi, Titus S. van Erp, An Ghysels
2024	PyRETIS 3: Conquering rare and slow events without boundaries Journal of Computational Chemistry Wouter Vervust, Daniel T. Zhang, An Ghysels, Sander Roet, Titus S. van Erp, Enrico Riccardi
2023	Enhanced sampling in molecular dynamics simulations and their latest applications—A review Nano Research Wenhui Shen, Tong Zhou, Xinghua Shi
2022	Pyruvic acid, an efficient catalyst in SO3 hydrolysis and effective clustering agent in sulfuric-acid-based new particle formation Atmospheric Chemistry and Physics Narcisse Tsona Tchinda, Lin Du, Ling Liu, Xiuhui Zhang
2021	Chemistrees: Data-Driven Identification of Reaction Pathways via Machine Learning Journal of Chemical Theory and Computation Sander Roet, Christopher D. Daub, Enrico Riccardi
2020	An Ab Initio Molecular Dynamics Study of the Hydrolysis Reaction of Sulfur Trioxide Catalyzed by a Formic Acid or Water Molecule The Journal of Physical Chemistry A Pinja Kangas, Vesa Hänninen, Lauri Halonen