Georg K. H. Madsen
- BoltzTraP. A code for calculating band-structure dependent quantities
2006/05/05 by Georg K.H. Madsen, Georg K. H. Madsen, David J. Singh · 81 citations
Materials Science · Physics and Astronomy · #Thermal properties of materials #Quantum, superfluid, helium dynamics #Advanced Chemical Physics Studies
- WIEN2k: An APW+lo program for calculating the properties of solids
2020/02/19 by Peter Blaha, Karlheinz Schwarz, Fabien Tran +3 · 38 citations
Chemistry · Materials Science · #Inorganic Fluorides and Related Compounds #Thermal Expansion and Ionic Conductivity #X-ray Diffraction in Crystallography
- Electronic structure calculations of solids using the WIEN2k package for material sciences
2002/08/01 by K. Schwarz, Karlheinz Schwarz, P. Blaha +3 · 34 citations
Materials Science · Chemistry · Physics and Astronomy · #Heusler alloys: electronic and magnetic properties #Inorganic Chemistry and Materials #Advanced Chemical Physics Studies
- A Differentiable Neural-Network Force Field for Ionic Liquids
2021/06/30 by Hadrián Montes‐Campos, Jesús Carrete, Montes-Campos, Hadrián +7 · 6 citations
Chemical Engineering · #Chemical Physics (physics.chem-ph) #Computational Physics (physics.comp-ph) #FOS: Physical sciences #Ionic liquids properties and applications
- Chemical trends in the high thermoelectric performance of the pyrite-type dichalcogenides: ZnS2, CdS2 and CdSe2
2020/05/12 by Tiantian Jia, Jesús Carrete, Jia, Tiantian +7 · 2 citations
Engineering · Materials Science · #2D Materials and Applications #Advanced Thermoelectric Materials and Devices #Applied Physics (physics.app-ph) #Chalcogenide Semiconductor Thin Films #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci)
- Efficient linearization of the augmented plane-wave method
2001/10/30 by Georg K. H. Madsen, Peter Blaha, Karlheinz Schwarz +2 · 1 citation
- Evolutionary computing and machine learning for the discovering of low-energy defect configurations
2020/11/13 by Marco Arrigoni, Arrigoni, Marco, Georg K. H. Madsen +1 · 2 citations
Materials Science · #FOS: Physical sciences #Machine Learning in Materials Science #Materials Science (cond-mat.mtrl-sci)
- Materials Screening for the Discovery of New Half-Heuslers: Machine Learning versus Ab Initio Methods
2017/06/01 by Fleur Legrain, Legrain, Fleur, Jesús Carrete +7 · 1 citation
Materials Science · Chemistry · #Heusler alloys: electronic and magnetic properties #Inorganic Chemistry and Materials #Machine Learning in Materials Science
- Neural-Network Force Field Backed Nested Sampling: Study of the Silicon p-T Phase Diagram
2023/08/22 by Nico Unglert, Jesús Carrete, Unglert, N. +4 · 1 citation
Materials Science · Biochemistry, Genetics and Molecular Biology · #Machine Learning in Materials Science #Electron and X-Ray Spectroscopy Techniques #Advanced Electron Microscopy Techniques and Applications