Scientific Movies of the FHI Theory Department
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Abstract Raman GPR finalized
Using Gaussian Process Regression to Simulate the Vibrational Raman Spectra of Molecular Crystals
New Journal of Physics, special issue on Machine Learning Across Physics, DOI:10.1088/1367-2630/ab4509 (2019)
Nathaniel Raimbault, Andrea Grisafi, Michele Ceriotti, Mariana Rossi
 Fritz Haber Institute of the Max Planck Society, Berlin, Germany
 École Polytechnique Fédérale de Lausanne, Switzerland
Video made by Nathaniel Raimbault
NOMAD Big-Data Analytics Tools
NOMAD Laboratory CoE
NOMAD Repository basic tutorial. Uploading, sharing, downloading, and reviewing
NOMAD Conversion of a Greenhouse Gas into Fuels and Other Useful Chemicals: Activation of CO2
NOMAD A 360° movie: An Exciton in Lithium Fluoride - Where is the electron?
Poster parade for the posters of the Theory department
Watch a brief summary of our 24 posters by their key authors at youtube (2 min or less per poster)
Starting times of the different clips are noted in the in the explanation panel below the movie screen, if you follow the youtube link.
We suggest to set the quality level to 480p (click at the small gear wheel at the bar right below the movie screen). Higher resolutions are obviously better but the downloading may be slow.
Unfolding of Ac-Ala_15-LysH+ at 700K from ab initio, all electron molecular dynamics simulation with standard and vdW corrected DFT
Towards Modeling Real Catalysis: Ab initio statistical mechanics
First-principles kinetic Monte Carlo simulations for heterogeneous catalysis: Application to the CO oxidation at RuO2(110)
UniCat - Catalysts for methane conversion
One of the main research topic of the UniCat is the oxidative coupling of methane (OCM). Methane is the main component of biogas and natural gas.