Ralf Drautz
Materials Chemistry · 2006–2022
A researcher in the Science corpus: 8 papers; trusts 5 researchers and is trusted by 21 researchers here, as inferred from the citation graph.
Subfields
- Materials Chemistry — 88 citations into it; #977 of 11,513 by trust here, #6,682 by citations
- Atomic and Molecular Physics, and Optics — 20 citations into it
- Computational Chemistry & Drug Discovery — 17 citations into it
- Physical and Theoretical Chemistry — 11 citations into it; #38 of 671 by trust here, #381 by citations
Whom Ralf Drautz trusts overall
Their strongest outbound trust, strongest first, inferred from their citations.
Who trusts Ralf Drautz overall
- Simon L. Batzner
- Albert Musaelian
- Ilyes Batatia
- Ivan S. Novikov
- Yuri Mishin
- Konstantin Gubaev
- Lixin Sun
- D. Kov'acs
- Mario Geiger
- Evgeny V. Podryabinkin
Papers from Ralf Drautz's perspective
Ordered by how strongly the researchers Ralf Drautz trusts endorse each paper. Same corpus, a different order for every researcher.
- Spectral neighbor analysis method for automated generation of quantum-accurate interatomic potentials
- Atomic cluster expansion for accurate and transferable interatomic potentials (Physical review B)
- Generalized neural-network representation of high-dimensional potential-energy surfaces.
- The Elements of Statistical Learning
- Machine learning based interatomic potential for amorphous carbon
- Modern quantum chemistry : introduction to advanced electronic structure theory
- A Chemist's Guide to Density Functional Theory
- Accurate Force Field for Molybdenum by Machine Learning Large Materials Data
- Comparing molecules and solids across structural and alchemical space.
- Quantum Theory of Angular Momentum
Their papers
- Atomic cluster expansion for accurate and transferable interatomic potentials (2019) — 749 citations
- First-principles study on the interaction of H interstitials with grain boundaries in alpha- and gamma-Fe (2011) — 228 citations
- The design space of E(3)-equivariant atom-centred interatomic potentials (2022) — 361 citations
- Metallic NiPS3@NiOOH Core–Shell Heterostructures as Highly Efficient and Stable Electrocatalyst for the Oxygen Evolution Reaction (2017) — 244 citations
- Diffusion of solutes in fcc Cobalt investigated by diffusion couples and first principles kinetic Monte Carlo (2016) — 181 citations
- On the effect of alloy composition on martensite start temperatures and latent heats in Ni–Ti-based shape memory alloys (2015) — 468 citations
- TCP phase predictions in Ni-based superalloys: Structure maps revisited (2011) — 216 citations
- Magnetism and thermodynamics of defect-free Fe-Cr alloys (2006) — 163 citations