Computational Chemical Physics group (CCP)

We are a computational group focusing on the theory and simulation of physical phenomena which span wide spatial and dynamical scales, from photoexcitations of electrons to the dynamics of structure formation of biomolecular systems. Our methodology ranges from electronic structure theory and quantum Monte Carlo approaches to coarse grain molecular and Brownian dynamics. Using similar methods, we also investigate the flow properties of soft matter. Our activities encompass both practical problems and the development of novel computational methods when needed.

The group is part of the Faculty of Science and Technology and its research is embedded in the MESA+ Institute for Nanotechnology and the Twente Center for Scientific Computing.


Ravindra Shinde 1 January 2021
Welcome to Dr. Ravindra Shinde as new research scientist in software development and high-performance computing. He joins our TREX team for the development of high-performance software solutions for advanced quantum mechanical simulations on future exascale supercomputers.

Ramon Lorenzo Panades Barrueta 1 November 2020
We welcome Dr. Ramón L. Panadés-Barrueta as a new postdoc in CCP. During his PhD, he worked on the development of new methods for representing potential energy surfaces for quantum dynamics. Now, he will join our TREX Project for the development and application of high-performance quantum Monte Carlo algorithms.

TREX 1 October 2020
We are proud to announce that the TREX European Center of Excellence in exascale computing we are coordinating has started its activities. Read more in the UT News and follow us on the TREX website.

Dr. Linn Leppert 1 June 2020
A warm welcome to Dr. Linn Leppert who has joined CCP as new staff member! She and her group are focusing on many-body Green's function-based perturbation theory approaches and are interested in complex energy systems.