Karlheinz Schwarz

Atomic and Molecular Physics, and Optics · 2001–2020

A researcher in the Science corpus: 14 papers; trusts 6 researchers and is trusted by 8 researchers here, as inferred from the citation graph.

Subfields

• Atomic and Molecular Physics, and Optics — 106 citations into it; #1,374 of 7,135 by trust here, #1,837 by citations
• Materials Chemistry — 87 citations into it; #2,576 of 11,513 by trust here, #4,140 by citations
• Electronic, Optical and Magnetic Materials — 21 citations into it; #392 of 2,886 by trust here, #1,656 by citations
• Computational Chemistry & Drug Discovery — 13 citations into it
• Biomedical Engineering — 9 citations into it; #8,864 of 10,734 by trust here, #5,809 by citations
• Surfaces, Coatings and Films — 9 citations into it

Whom Karlheinz Schwarz trusts overall

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

1. J. Perdew
2. Peter Blaha
3. Kieron Burke
4. Axel D. Becke
5. M. Ernzerhof
6. Georg K. H. Madsen

Who trusts Karlheinz Schwarz overall

1. Alberto Otero-de-la-Roza
2. Víctor Luaña
3. M. Blanco
4. Peter Blaha
5. Nicola Marzari
6. Erin R. Johnson
7. Á. Pendás
8. Fabien Tran
9. Georg K. H. Madsen
10. Arash A. Mostofi

Papers from Karlheinz Schwarz's perspective

Ordered by how strongly the researchers Karlheinz Schwarz 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. Ab initio molecular simulations with numeric atom-centered orbitals
3. Full-Potential Electronic Structure Method
4. Efficient projector expansion for the ab initio LCAO method
5. Multiscale modelling of defect kinetics in irradiated iron
6. AFLOW: An automatic framework for high-throughput materials discovery
7. Density functional theory: Its origins, rise to prominence, and future
8. An object-oriented scripting interface to a legacy electronic structure code (Comput. Sci. Eng.)
9. Density-functional exchange-energy approximation with correct asymptotic behavior.
10. and s

Their papers

• Reproducibility in density functional theory calculations of solids (2016) — 1,430 citations
• Band gap calculations with Becke–Johnson exchange potential (2007) — 336 citations
• Solid state calculations using WIEN2k (2003) — 1,055 citations
• WIEN2k: An APW+lo program for calculating the properties of solids. (2020) — 2,259 citations
• Electronic structure and transport in type-I and type-VIII clathrates containing strontium, barium, and europium (2003) — 223 citations
• Efficient linearization of the augmented plane-wave method (2001) — 916 citations
• WIEN2k: An Augmented Plane Wave Plus Local Orbitals Program for Calculating Crystal Properties (2019) — 3,649 citations
• Bonding of hexagonal BN to transition metal surfaces: An ab initio density-functional theory study (2008) — 137 citations
• Performance on molecules, surfaces, and solids of the Wu-Cohen GGA exchange-correlation energy functional (2007) — 313 citations
• Hybrid exchange-correlation energy functionals for strongly correlated electrons: Applications to transition-metal monoxides (2006) — 292 citations
• DFT calculations of solids with LAPW and WIEN2k (2003) — 397 citations
• Density functional theory investigation of the geometric and spintronic structure of h-BN/Ni(111) in view of photoemission and STM experiments (2003) — 165 citations
• Electronic structure calculations of solids using the WIEN2k package for material sciences (2002) — 1,585 citations
• Electronic structure of fcc Th: Spin-orbit calculation with 6 p 1'2 local orbital extension (2001) — 206 citations