![](https://www.epfl.ch/labs/lcbc/wp-content/uploads/2024/08/LCBClogo_french-1024x491.png)
Our research interests are concentrated on ab initio MD methods based on density functional theory (Car-Parrinello simulations) and their application, adaption and extension to systems of chemical and/or biological interest.
Our research interests are concentrated on ab initio MD methods based on density functional theory (Car-Parrinello simulations) and their application, adaption and extension to systems of chemical and/or biological interest.
G. Alsabeh; V. Slama; M. Ren; M. Almalki; L. Pfeifer et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION. 2025. DOI : 10.1002/anie.202417432.C. Vona; M. Dankl; A. Boziki; M. P. Bircher; U. Rothlisberger
JOURNAL OF PHYSICAL CHEMISTRY C. 2025. DOI : 10.1021/acs.jpcc.4c04979.A. Antalik; A. Levy; S. Kvedaravičiūtė; D. Carrasco-Busturia; S. K. Johnson et al.
The Journal of Chemical Physics. 2024. Vol. 161, num. 2, p. 022501. DOI : 10.1063/5.0211053.W. Luo; S. Kim; N. Lempesis; L. Merten; E. Kneschaurek et al.
ADVANCED SCIENCE. 2024. DOI : 10.1002/advs.202405622.J. Jeong; T. Chawanpunyawat; M. Kim; V. Slama; N. Lempesis et al.
Advanced Energy Materials. 2024. DOI : 10.1002/aenm.202401965.D. Carrasco-Busturia; E. Ippoliti; S. Meloni; U. Rothlisberger; J. M. H. Olsen
Current Opinion In Structural Biology. 2024. Vol. 86, p. 102821. DOI : 10.1016/j.sbi.2024.102821.J. Villard; M. P. Bircher; U. Rothlisberger
Chemical Science. 2024. DOI : 10.1039/d3sc05828j.J. Villard; M. P. Bircher; U. Rothlisberger
Journal Of Chemical Theory And Computation. 2023. Vol. 19, num. 24, p. 9211 – 9227. DOI : 10.1021/acs.jctc.3c00952.