Volker Blum
Affiliations: | Mechanical Engineering and Materials Science | Duke University, Durham, NC |
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Parents
Sign in to add mentor| Klaus Heinz | grad student | 1996-2001 | University of Erlangen-Nurnberg |
| Alex Zunger | post-doc | 2002-2004 | National Renewable Energy Laboratory (Physics Tree) |
| Matthias Scheffler | research scientist | 2004-2013 | Fritz Haber Institut der Max-Planck-Gesellschaft (Physics Tree) |
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Publications
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| Kokott S, Merz F, Yao Y, et al. (2024) Efficient all-electron hybrid density functionals for atomistic simulations beyond 10 000 atoms. The Journal of Chemical Physics. 161 |
| Tahir MN, Zhu T, Shang H, et al. (2022) Localized Resolution of Identity Approach to the Analytical Gradients of Random-Phase Approximation Ground-State Energy: Algorithm and Benchmarks. Journal of Chemical Theory and Computation |
| Xu J, Zhou R, Tao Z, et al. (2022) Nuclear-electronic orbital approach to quantization of protons in periodic electronic structure calculations. The Journal of Chemical Physics. 156: 224111 |
| Yao Y, Golze D, Rinke P, et al. (2022) All-Electron BSE@ Method for -Edge Core Electron Excitation Energies. Journal of Chemical Theory and Computation |
| Hekele J, Yao Y, Kanai Y, et al. (2021) All-electron real-time and imaginary-time time-dependent density functional theory within a numeric atom-centered basis function framework. The Journal of Chemical Physics. 155: 154801 |
| Yu VW, Moussa J, Blum V. (2021) Accurate frozen core approximation for all-electron density-functional theory. The Journal of Chemical Physics. 154: 224107 |
| Oliveira MJT, Papior N, Pouillon Y, et al. (2020) The CECAM electronic structure library and the modular software development paradigm. The Journal of Chemical Physics. 153: 024117 |
| García A, Papior N, Akhtar A, et al. (2020) Siesta: Recent developments and applications. The Journal of Chemical Physics. 152: 204108 |
| Liu C, Kloppenburg J, Yao Y, et al. (2020) All-electron ab initio Bethe-Salpeter equation approach to neutral excitations in molecules with numeric atom-centered orbitals. The Journal of Chemical Physics. 152: 044105 |
| Yu VW, Campos C, Dawson W, et al. (2020) ELSI — An open infrastructure for electronic structure solvers Computer Physics Communications. 256: 107459 |