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Volker Blum

Identifiers

  • name variant Volker Blum 0.60 · backfill

Papers (18)

  1. Roadmap on Advancements of the FHI-aims Software Package cond-mat.mtrl-sci · 2025 · author #12
  2. Tunable Semiconductors: Control over Carrier States and Excitations in Layered Hybrid Organic-Inorganic Perovskites cond-mat.mtrl-sci · 2018 · author #9
  3. ELSI: A Unified Software Interface for Kohn-Sham Electronic Structure Solvers physics.comp-ph · 2017 · author #15
  4. 103-Compound Band Structure Benchmark of Post-SCF Spin-Orbit Coupling Treatments in Density-Functional Theory cond-mat.mtrl-sci · 2017 · author #2
  5. The Elephant in the Room of Density Functional Theory Calculations physics.comp-ph · 2017 · author #5
  6. Trends for isolated amino acids and dipeptides: Conformation, divalent ion binding, and remarkable similarity of binding to calcium and lead q-bio.BM · 2016 · author #2
  7. Towards rational design of carbon nitride photocatalysts: Identification of cyanamide "defects" as catalytically relevant sites cond-mat.mtrl-sci · 2016 · author #8
  8. First-principles molecular structure search with a genetic algorithm q-bio.BM · 2015 · author #2
  9. First-principles data set of 45,892 isolated and cation-coordinated conformers of 20 proteinogenic amino acids q-bio.BM · 2015 · author #4
  10. Why graphene growth is very different on the C face than on the Si face of SiC: Insights from surface equilibria and the (3$\times$3)-3C-SiC($\bar{\text{1}}\bar{\text{1}}\bar{\text{1}}$) reconstruction cond-mat.mtrl-sci · 2015 · author #5
  11. Length Dependence of Ionization Potentials of Trans-Acetylenes: Internally-Consistent DFT/GW Approach cond-mat.mtrl-sci · 2015 · author #4
  12. Embedded-Cluster Calculations in a Numeric Atomic Orbital Density-Functional Theory Framework cond-mat.mtrl-sci · 2014 · author #8
  13. Thermodynamic equilibrium conditions of graphene films on SiC cond-mat.mtrl-sci · 2013 · author #2
  14. How Cations Change Peptide Structure q-bio.BM · 2013 · author #6
  15. Impact of vibrational entropy on the stability of unsolvated peptide helices with increasing length physics.chem-ph · 2012 · author #2
  16. Resolution-of-identity approach to Hartree-Fock, hybrid density functionals, RPA, MP2, and \textit{GW} with numeric atom-centered orbital basis functions physics.atm-clus · 2012 · author #3
  17. Large-scale surface reconstruction energetics of Pt(100) and Au(100) by all-electron DFT cond-mat.mtrl-sci · 2010 · author #2
  18. On the accuracy of first-principles lateral interactions: Oxygen at Pd(100) cond-mat.mtrl-sci · 2007 · author #2

Mentions

  • 1404.2130 #8 · backfill · confidence 0.70 Volker Blum
  • 1304.7640 #2 · backfill · confidence 0.70 Volker Blum
  • 1304.5947 #6 · backfill · confidence 0.70 Volker Blum
  • 1208.6133 #2 · backfill · confidence 0.70 Volker Blum
  • 1201.0655 #3 · backfill · confidence 0.70 Volker Blum
  • 1004.3948 #2 · backfill · confidence 0.70 Volker Blum

Frequent Coauthors