Machine learning in sustainable chemistry
Dr S. Alireza Ghasemi, a physicist at Paderborn University, has received a Georg Forster Research Fellowship from the Alexander von Humboldt Foundation. The funding will be used to set up a research group to investigate new machine learning methods for photocatalytic water splitting. Ghasemi is a member of Professor Thomas D. Kühne’s “Theoretical Chemistry” research group. → READ MORE
Approximate Computing Methods contributed to the CP2K Atomistic Simulation Program Package
In 2018, Prof. Christian Plessl (Chair for High-Performance IT Systems) and Prof. Thomas D. Kühne (Chair for Theoretical Chemistry) have been awarded the Paderborn University Research Award for their project "Green IT: Exact Computations with inexact but energy-efficient computers''. The objective of this interdisciplinary project was to study the feasibility of the "Approximate Computing" paradigm for scientific applications. → READ MORE
Deep insights into the intermolecular energy transfer in water
Water is an essential substance for life. In living organisms, the same property makes water an efficient heat buffer for the functioning of biochemical reactions. So-called hydrogen bridge bonds play a central role in this process. However, the energy flow in this complex network of bonds has not yet been fully investigated at the molecular level. → READ MORE
Successful International Winter School on Electronic Structure Calculations
From Monday, February 10th to Friday, February 14th, the Paderborn Center for Parallel Computing (PC²) and the Chair for Dynamics of Condensed Matter at Paderborn University organized an international winter school on electronic structure calculations. → READ MORE
PC² Research and service report 1/2017-6/2019
The latest edition of the Paderborn Center for Parallel Computing research and service report is available for download now.
Supercomputer Noctua inaugurated
On September 21, the new super-computer “Noctua” (Latin: Little Owl) was inaugurated at Paderborn Univer-sity. The high-performance computing system is expected to be one of the ten most powerful university installations within Germany. This is the first step on the path into a new era: The construction of a new data center and research facility will commence in 2019, with the federal state of Germany, the state North Rhine-Westphalia and Paderborn University contributing a total of €25.4M until 2022. → READ MORE
→ ARCHIVE
Head
Prof. Dr. Thomas Kühne
Theoretical Chemistry - Research Group Kühne
Lehrstuhlinhaber - Dynamics of Condensed Matter
