688 citations
- University of ViennaAT22 papers
- Toyota Central Research and Development Laboratories (Japan)JP3 papers
- Chinese Academy of SciencesCN2 papers
- Kyungpook National UniversityKR2 papers
- Lappeenranta-Lahti University of TechnologyFI2 papers
- Los Alamos National LaboratoryUS2 papers
- Shenyang National Laboratory for Materials ScienceCN2 papers
- The University of QueenslandAU2 papers
- The University of Texas at AustinUS2 papers
- Tulane UniversityUS2 papers
- TU WienAT2 papers
- Universidad del NoresteMX2 papers
Showing 2019Show all
3 papers · 1 filter
cond-mat.mtrl-sci2019★ 40 cited
Minimax Isometry Method: A compressive sensing approach for Matsubara summation in many-body perturbation theory
Merzuk Kaltak, Georg Kresse
We present a compressive sensing approach for the long standing problem of Matsubara summation in many-body perturbation theory. By constructing low-dimensional, almost isometric s…
cond-mat.mtrl-sci2019★ 688 cited
On-the-fly machine learning force field generation: Application to melting points
Ryosuke Jinnouchi, Ferenc Karsai, Georg Kresse
An efficient and robust on-the-fly machine learning force field method is developed and integrated into an electronic-structure code. This method realizes automatic generation of m…
cond-mat.mtrl-sci2019★ 646 cited
Phase transitions of hybrid perovskites simulated by machine-learning force fields trained on-the-fly with Bayesian inference
Ryosuke Jinnouchi, Jonathan Lahnsteiner, Ferenc Karsai +2
Realistic finite temperature simulations of matter are a formidable challenge for first principles methods. Long simulation times and large length scales are required, demanding ye…