Georg Kresse

Materials Chemistry · 2000–2021

A researcher in the Science corpus: 51 papers; trusts 13 researchers and is trusted by 31 researchers here, as inferred from the citation graph.

Subfields

• Materials Chemistry — 218 citations into it; #1,297 of 11,513 by trust here, #856 by citations
• Atomic and Molecular Physics, and Optics — 171 citations into it; #1,142 of 7,135 by trust here, #220 by citations
• Electrical and Electronic Engineering — 71 citations into it; #12,469 of 16,539 by trust here, #2,189 by citations
• Electronic, Optical and Magnetic Materials — 57 citations into it; #1,652 of 2,886 by trust here, #990 by citations
• Computational Chemistry & Drug Discovery — 31 citations into it
• Inorganic Chemistry — 25 citations into it; #749 of 820 by trust here, #238 by citations

Whom Georg Kresse trusts overall

Their strongest outbound trust, strongest first, inferred from their citations.

1. J. Perdew
2. Jochen Heyd
3. M. Ernzerhof
4. Gustavo E. Scuseria
5. Joachim A. Paier
6. Roberto Car
7. Axel D. Becke
8. Michele Parrinello
9. Kieron Burke
10. Radford M. Neal

Who trusts Georg Kresse overall

1. Jürgen Hafner
2. Yuri Mishin
3. J. Renteria
4. S. Lany
5. A. Klein
6. Andrea C. Ferrari
7. Joachim A. Paier
8. Christopher J. Cramer
9. P. Blöchl
10. Ryan Babbush

Papers from Georg Kresse's perspective

Ordered by how strongly the researchers Georg Kresse trusts endorse each paper. Same corpus, a different order for every researcher.

1. Commentary: The Materials Project: A materials genome approach to accelerating materials innovation
2. AFLOW: An automatic framework for high-throughput materials discovery
3. Full-Potential Electronic Structure Method
4. Efficient projector expansion for the ab initio LCAO method
5. Density functional theory: Its origins, rise to prominence, and future
6. Multiscale modelling of defect kinetics in irradiated iron
7. An object-oriented scripting interface to a legacy electronic structure code (Comput. Sci. Eng.)
8. Pattern Recognition and Machine Learning
9. Electronic and Optoelectronic Properties of Semiconductor Structures
10. The Haar integral

Their papers

• Accurate density functional calculations for the phonon dispersion relations of graphite layer and carbon nanotubes (2003) — 305 citations
• Structural and electronic properties of lead chalcogenides from first principles (2007) — 162 citations
• Reproducibility in density functional theory calculations of solids (2016) — 1,430 citations
• First-principles calculations for point defects in solids (2014) — 2,021 citations
• Assessment of correlation energies based on the random-phase approximation (2011) — 143 citations
• The Perdew-Burke-Ernzerhof exchange-correlation functional applied to the G2-1 test set using a plane-wave basis set. (2005) — 891 citations
• Molecular adsorption on the surface of strongly correlated transition-metal oxides: A case study for CO/NiO(100) (2004) — 193 citations
• On-the-fly machine learning force field generation: Application to melting points (2019) — 386 citations
• Heyd-Scuseria-Ernzerhof hybrid functional for calculating the lattice dynamics of semiconductors (2009) — 204 citations
• Screened hybrid density functionals applied to solids. (2006) — 2,074 citations
• Linear optical properties in the projector-augmented wave methodology (2006) — 2,558 citations
• Graphene on Ni(111): Strong interaction and weak adsorption (2011) — 219 citations
• Self-consistent G W calculations for semiconductors and insulators (2007) — 585 citations
• Assessing the quality of the random phase approximation for lattice constants and atomization energies of solids (2010) — 314 citations
• Defect energetics in ZnO: A hybrid Hartree-Fock density functional study (2008) — 576 citations
• Quasiparticle band structure based on a generalized Kohn-Sham scheme (2006) — 407 citations
• Phase Transitions of Hybrid Perovskites Simulated by Machine-Learning Force Fields Trained on the Fly with Bayesian Inference. (2019) — 335 citations
• Band alignment of semiconductors from density-functional theory and many-body perturbation theory (2014) — 246 citations
• Hybrid functional studies of the oxygen vacancy in TiO 2 (2010) — 492 citations
• Thermal transport and phase transitions of zirconia by on-the-fly machine-learned interatomic potentials (2021) — 134 citations