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chemistry, solid-state physics, materials science, particle physics, plasma physics, quantum mechanics: Max Planck Institute for the Structure and Dynamics of Matter: Hamburg: solid-state physics, materials science: Max Planck Institute for Sustainable Materials: Düsseldorf: chemistry, solid-state physics, materials science
Computational chemistry can help predict values like activation energy from catalysis. The presence of the catalyst opens a different reaction pathway (shown in red) with lower activation energy. The final result and the overall thermodynamics are the same. Computational chemistry is a tool for analyzing catalytic systems without doing experiments.
Founded in 1987 by the Heidelberg University and the state of Baden-Württemberg, IWR participates in joint project and cooperations with industry in Germany as well as abroad. As a research institute with about 380 staff, IWR is considered one of the world's largest research centers for scientific computing.
The Department of Chemistry is regarded as one of the best chemistry departments in Germany. According to the QS rankings , it is ranked No. 22 in the world and No. 1 in Germany, [ 4 ] and in the ARWU rankings , it is ranked within No. 51–75 in the world and No. 1 in Germany. [ 6 ]
Bioorganic Chemistry, Molecular Signal Processing, Cell and Metabolic Biology, Biochemistry of Plant Interactions, as well as two Junior Research Groups and one Program Center for Plant Metabolomics and Computational Biochemistry (MetaCom) [3] The IPB employs ca. 200 people, 100 of whom are scientists.
He then became the first chaired professor in computational biology in Germany, when appointed at the Interdisciplinary Center for Scientific Computing of the University of Heidelberg, Germany in 1998.
Chemical Computing Group is a software company specializing in research software for computational chemistry, bioinformatics, cheminformatics, docking, pharmacophore searching and molecular simulation. The company's main customer base consists of pharmaceutical and biotechnology companies, as well as academic research groups.
Quantum computational chemistry is an emerging field that exploits quantum computing to simulate chemical systems. Despite quantum mechanics' foundational role in understanding chemical behaviors, traditional computational approaches face significant challenges, largely due to the complexity and computational intensity of quantum mechanical equations.