D&D1 - Organic Crystals

The project D&D1 — Understanding Complex Molecular Crystals: Structures and Properties — unites the expertise of several groups within the MARVEL collaboration, and leverages some of the outcomes of the development work of phase I, to bring about a new level of understanding of molecular crystals.
In particular, we wish to demonstrate the use of rigorous physics based approaches to study molecular materials, and to combine them with machine learning techniques to generate statistical models of energetics and of experimentally-accessible properties (such as electron density, chemical shifts, etc.). 

Group Leaders

Michele Ceriotti
Group leader
EPFL, Lausanne
Clémence Corminboeuf
Group leader
EPFL, Lausanne
Stefan Goedecker
Project leader
UniBas, Basel
Michele Parrinello
Group leader
USI, Lugano