Development of Hybrid QM/MM Methods for Combined Quantum/Classical Car-Parrinello Simulations. – Development of Long-Time Scale Techniques for Ab initio MD Simulations. – In situ Simulations of Chemical Reactions in Gas Phase and in Solution. – Ab initio Simulations of Biological Systems.
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.
Latest Publications
Il contributo delle company towns per l’identità produttiva dell’Italia di Mezzo A. K. De Almeida Santos
La Città Lago. Prossimità e trasizione ecologica in un territorio dell’Italia di Mezzo. Laboratorio di Urbanistica 2, Milan, Italy, 2024-03-22. Field Guide to Northern Tree-related Microhabitats: Descriptions and size limits for their inventory in boreal and hemiboreal forests of Europe and North America R. Bütler Sauvain ; L. Larrieu ; L. F. Lunde ; M. Maxence ; B. Nordén et al.
Swiss Federal Institute for Forest, Snow and Landscape Research WSL, Switzerland , 2024. Comparison of Three Viral Nucleic Acid Preamplification Pipelines for Sewage Viral Metagenomics X. Fernandez Cassi ; T. Kohn
Food and Environmental Virology . 2024. DOI : 10.1007/s12560-024-09594-3. How to Support Students to Develop Skills that Promote Sustainability S. R. Isaac ; J. de Lima
Teaching Transversal Skills for Engineering Studens: A Practical Handbook of Activities with Tangibles ; EPFL , 2024. How to Support Students Giving Each Other Constructive Feedback, Especially When It Is Difficult to Hear S. R. Isaac ; J. de Lima
Teaching Transversal Skills for Engineering Studens: A Practical Handbook of Activities with Tangibles ; EPFL , 2024. How teachers can use the 3T PLAY trident framework to design an activity that develops transversal skills S. R. Isaac ; J. de Lima
Teaching Transversal Skills for Engineering Studens: A Practical Handbook of Activities with Tangibles ; EPFL , 2024. Radio-Activities: Architecture and Broadcasting in Cold War Berlin A. Thiermann
Cambridge, MA; London : MIT Press , 2024. All That is Solid A. Thiermann
Transcalar Prospects in Climate Crisis ; Zurich : Lars Müller , 2024.