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.
News
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07 April 2022 TREX Project and the Computational Chemical Physics (CCP) group promote their research field to young female students at the UT Girls’ Day. Dr. Raisa Biega and Alice Cuzzocrea share their enthusiasm for their work on modeling and understanding novel materials at the nanoscale using supercomputers. |
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15 January 2022 We welcome Dr. Edgar Landinez as postdoc in our group. He joins our TREX team for the development of high-performance software solutions for advanced quantum mechanical simulations on future exascale supercomputers. |
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14 January 2022 Warmest congratulations to dr. Raisa-Ioana Biega for successfully defending her PhD thesis on optoelectronic properties of heterogeneous halide perovskites from first principles. |
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25 November 2021 Congratulations to Jasper Schiphorst for the successful presentation of his Master project about tight binding models for double perovskites. |
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1 June 2021 We welcome Dr. Stuart Shepard as postdoc in our group. He joins our TREX team for the development of high-performance software solutions for advanced quantum mechanical simulations on future exascale supercomputers. |
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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 stochastic quantum simulations on future exascale supercomputers. |
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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. |
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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. |