Scientific Movies
Scientific Movies of the NOMAD Laboratory
In case of problems please contact office.nomad@fhi.mpg.de
AI Guided Workflows
Artificial Intelligence guided workflows for efficiently screening the materials space by Matthias Scheffler, Introduction and Summary of Coshare Science 02, video-2, 1-18 (2024), https://doi.org/10.61109/cs.202403.129
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[1], Andrea Grisafi[2], Michele Ceriotti[2], Mariana Rossi[1]
[1] Fritz Haber Institute of the Max Planck Society, Berlin, Germany
[2] École Polytechnique Fédérale de Lausanne, Switzerland
Video made by Nathaniel Raimbault
NOMAD Big-Data Analytics Tools
NOMAD Laboratory CoE
NOMAD Repository
NOMAD Repository basic tutorial. Uploading, sharing, downloading, and reviewing
NOMAD Conversion of a Greenhouse Gas into Fuels and Other Useful Chemicals: Activation of CO2
Download Movie as standard movie
Download Movie as 3D stereoscopic movie
Open Movie as 3D stereoscopic movie
NOMAD A 360° movie: An Exciton in Lithium Fluoride - Where is the electron?
Open Movie as 360 degree movie
Unfolding of Ac-Ala_15-LysH+ at 700K from ab initio, all electron molecular dynamics simulation with standard and vdW corrected DFT
Highlight at the FHI Theory Department (October 2010)
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
Unraveling the stability of polypeptide helices: critical role of van der Waals interactions
Reaction-limited island nucleation in molecular beam epitaxy of compound semiconductors