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Volker Blum

Identifiers

  • name variant Volker Blum 0.60 · backfill

Papers (46)

  1. Efficient Computation of the Long-Range Exact Exchange using an Extended Screening Function cond-mat.mtrl-sci · 2025 · author #2
  2. Roadmap on Advancements of the FHI-aims Software Package cond-mat.mtrl-sci · 2025 · author #12
  3. Solvers for Large-Scale Electronic Structure Theory: ELPA and ELSI cond-mat.mtrl-sci · 2025 · author #17
  4. Density-Functional Perturbation Theory with Numeric Atom-Centered Orbitals cond-mat.mtrl-sci · 2025 · author #5
  5. Optical activity of chiral excitons cond-mat.mes-hall · 2024 · author #4
  6. All-electron BSE@GW method with Numeric Atom-Centered Orbitals for Extended Systems physics.chem-ph · 2024 · author #3
  7. Efficient All-electron Hybrid Density Functionals for Atomistic Simulations Beyond 10,000 Atoms cond-mat.mtrl-sci · 2024 · author #9
  8. Roadmap on Data-Centric Materials Science cond-mat.mtrl-sci · 2024 · author #4
  9. First-Principles Approach for Coupled Quantum Dynamics of Electrons and Protons in Heterogeneous Systems physics.chem-ph · 2023 · author #4
  10. Roadmap on Electronic Structure Codes in the Exascale Era cond-mat.mtrl-sci · 2022 · author #3
  11. The FHI-aims Code: All-electron, ab initio materials simulations towards the exascale cond-mat.mtrl-sci · 2022 · author #1
  12. Exact constraints and appropriate norms in machine learned exchange-correlation functionals physics.chem-ph · 2022 · author #4
  13. Nuclear-Electronic Orbital Approach to Quantization of Protons in Periodic Electronic Structure Calculations physics.comp-ph · 2022 · author #5
  14. Boron nitride on SiC(0001) cond-mat.mtrl-sci · 2022 · author #8
  15. Large scale quantum chemistry with Tensor Processing Units physics.comp-ph · 2022 · author #10
  16. Localized resolution of identity approach to the analytical gradients of random-phase approximation ground-state energy: algorithm and benchmarks physics.chem-ph · 2021 · author #5
  17. Accurate Frozen Core Approximation for All-Electron Density-Functional Theory cond-mat.mtrl-sci · 2021 · author #3
  18. All-electron periodic $G_0W_0$ implementation with numerical atomic orbital basis functions: algorithm and benchmarks cond-mat.mtrl-sci · 2020 · author #7
  19. SIESTA: recent developments and applications physics.comp-ph · 2020 · author #5
  20. Relativistic correction scheme for core-level binding energies from $GW$ physics.chem-ph · 2020 · author #2
  21. The CECAM Electronic Structure Library and the modular software development paradigm cond-mat.mtrl-sci · 2020 · author #4
  22. GPU-Acceleration of the ELPA2 Distributed Eigensolver for Dense Symmetric and Hermitian Eigenproblems physics.comp-ph · 2020 · author #8
  23. ELSI -- An Open Infrastructure for Electronic Structure Solvers physics.comp-ph · 2019 · author #19
  24. GPGPU Acceleration of All-Electron Electronic Structure Theory Using Localized Numeric Atom-Centered Basis Functions physics.comp-ph · 2019 · author #5
  25. MatD3: A Database and Online Presentation Package for Research Data Supporting Materials Discovery, Design, and Dissemination cond-mat.mtrl-sci · 2019 · author #8
  26. The (3$\times$3)-SiC-($\bar{1}\bar{1}\bar{1}$) Reconstruction: Atomic Structure of the Graphene Precursor Surface from a Large-Scale First-Principles Structure Search cond-mat.mtrl-sci · 2019 · author #5
  27. Ab Initio Bethe-Salpeter Equation Approach to Neutral Excitations in Molecules with Numeric Atom-Centered Orbitals cond-mat.mtrl-sci · 2019 · author #6
  28. Formation of Graphene atop a Si adlayer on the C-face of SiC cond-mat.mes-hall · 2019 · author #6
  29. Molecular NMR shieldings, J-couplings, and magnetizabilities from numeric atom-centered orbital based density-functional calculations physics.comp-ph · 2018 · author #7
  30. Tunable Semiconductors: Control over Carrier States and Excitations in Layered Hybrid Organic-Inorganic Perovskites cond-mat.mtrl-sci · 2018 · author #9
  31. ELSI: A Unified Software Interface for Kohn-Sham Electronic Structure Solvers physics.comp-ph · 2017 · author #15
  32. 103-Compound Band Structure Benchmark of Post-SCF Spin-Orbit Coupling Treatments in Density-Functional Theory cond-mat.mtrl-sci · 2017 · author #2
  33. The Elephant in the Room of Density Functional Theory Calculations physics.comp-ph · 2017 · author #5
  34. Trends for isolated amino acids and dipeptides: Conformation, divalent ion binding, and remarkable similarity of binding to calcium and lead q-bio.BM · 2016 · author #2
  35. Towards rational design of carbon nitride photocatalysts: Identification of cyanamide "defects" as catalytically relevant sites cond-mat.mtrl-sci · 2016 · author #8
  36. First-principles molecular structure search with a genetic algorithm q-bio.BM · 2015 · author #2
  37. First-principles data set of 45,892 isolated and cation-coordinated conformers of 20 proteinogenic amino acids q-bio.BM · 2015 · author #4
  38. Why graphene growth is very different on the C face than on the Si face of SiC: Insights from surface equilibria and the (3$\times$3)-3C-SiC($\bar{\text{1}}\bar{\text{1}}\bar{\text{1}}$) reconstruction cond-mat.mtrl-sci · 2015 · author #5
  39. Length Dependence of Ionization Potentials of Trans-Acetylenes: Internally-Consistent DFT/GW Approach cond-mat.mtrl-sci · 2015 · author #4
  40. Embedded-Cluster Calculations in a Numeric Atomic Orbital Density-Functional Theory Framework cond-mat.mtrl-sci · 2014 · author #8
  41. Thermodynamic equilibrium conditions of graphene films on SiC cond-mat.mtrl-sci · 2013 · author #2
  42. How Cations Change Peptide Structure q-bio.BM · 2013 · author #6
  43. Impact of vibrational entropy on the stability of unsolvated peptide helices with increasing length physics.chem-ph · 2012 · author #2
  44. 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
  45. Large-scale surface reconstruction energetics of Pt(100) and Au(100) by all-electron DFT cond-mat.mtrl-sci · 2010 · author #2
  46. On the accuracy of first-principles lateral interactions: Oxygen at Pd(100) cond-mat.mtrl-sci · 2007 · author #2

Mentions

  • 2505.02536 #2 · arxiv_oai · confidence 0.70 Volker Blum
  • 2502.02460 #17 · arxiv_oai · confidence 0.70 Volker Blum
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  • 2209.12747 #3 · arxiv_oai · confidence 0.70 Volker Blum
  • 2202.01255 #10 · arxiv_oai · confidence 0.70 Volker Blum
  • 2205.14241 #4 · arxiv_oai · confidence 0.70 Volker Blum
  • 2203.00985 #8 · arxiv_oai · confidence 0.70 Volker Blum
  • 2208.12335 #1 · arxiv_oai · confidence 0.70 Volker Blum
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  • 2106.06412 #3 · arxiv_oai · confidence 0.70 Volker Blum
  • 2011.01400 #7 · arxiv_oai · confidence 0.70 Volker Blum
  • 2002.10991 #8 · arxiv_oai · confidence 0.70 Volker Blum
  • 2005.13465 #2 · arxiv_oai · confidence 0.70 Volker Blum
  • 1912.06636 #5 · arxiv_oai · confidence 0.70 Volker Blum
  • 1912.13403 #19 · arxiv_oai · confidence 0.70 Volker Blum
  • 2005.05756 #4 · arxiv_oai · confidence 0.70 Volker Blum
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  • 1908.01431 #6 · arxiv_oai · confidence 0.70 Volker Blum
  • 2001.02135 #8 · arxiv_oai · confidence 0.70 Volker Blum
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  • 1905.04234 #6 · arxiv_oai · confidence 0.70 Volker Blum
  • 1803.07230 #9 · arxiv_oai · confidence 0.70 Volker Blum
  • 1705.11191 #15 · arxiv_oai · confidence 0.70 Volker Blum
  • 1705.01804 #2 · arxiv_oai · confidence 0.70 Volker Blum
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  • 1606.02151 #2 · arxiv_oai · confidence 0.70 Volker Blum
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  • 1304.5947 #6 · arxiv_oai · confidence 0.70 Volker Blum
  • cond-mat/0701549 #2 · arxiv_oai · confidence 0.70 Volker Blum
  • 1505.02521 #2 · backfill · confidence 0.70 Volker Blum
  • 1504.03708 #4 · backfill · confidence 0.70 Volker Blum
  • 1503.08588 #5 · backfill · confidence 0.70 Volker Blum
  • 1503.03704 #4 · backfill · confidence 0.70 Volker Blum
  • 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