Faculty Profiles

Volker Blum

Overview

Education:

Ph.D., Friedrich-Alexander-Universität Erlangen-Nürnberg (Germany) 2001

Chutia, S, Rossi, M, and Blum, V. "Water adsorption at two unsolvated peptides with a protonated lysine residue: from self-solvation to solvation." The Journal of Physical Chemistry. B 116.51 (December 10, 2012): 14788-14804. Full Text

Ren, X, Rinke, P, Blum, V, Wieferink, J, Tkatchenko, A, Sanfilippo, A, Reuter, K, and Scheffler, M. "Resolution-of-identity approach to Hartree–Fock, hybrid density functionals, RPA, MP2 and GW with numeric atom-centered orbital basis functions." New Journal of Physics 14.5 (May 1, 2012): 053020-053020. Full Text

Rossi, M, Blum, V, and Scheffler, M. "Stabilization of peptide helices by length and vibrational free energies:$$ emph $$Ab initio$$ case study of polyalanine." Bulletin of the American Physical Society 57 (2012). (Academic Article)

Tkatchenko, A, Rossi, M, Blum, V, Ireta, J, and Scheffler, M. "Unraveling the stability of polypeptide helices: critical role of van der Waals interactions." Physical Review Letters 106.11 (March 16, 2011): 118102-null. Full Text

Auckenthaler, T, Blum, V, Bungartz, H-J, Huckle, T, Johanni, R, Krämer, L, Lang, B, Lederer, H, and Willems, PR. "Parallel solution of partial symmetric eigenvalue problems from electronic structure calculations." Parallel Computing 37 (2011): 783-794. (Academic Article)

Rossi, M, Blum, V, Kupser, P, von Helden, G, Bierau, F, Pagel, K, Meijer, G, and Scheffler, M. "Secondary structure of Ac-Ala $ _n $-LysH $\^+ $ polyalanine peptides ($ n $= 5, 10, 15) in vacuo: Helical or not?." Arxiv Preprint Arxiv:1005.1228 (2010). (Academic Article)

Havu, V, Blum, V, Havu, P, and Scheffler, M. "Efficient integration for all-electron electronic structure calculation using numeric basis functions." Journal of Computational Physics 228.22 (December 2009): 8367-8379. Full Text

Blum, V, Gehrke, R, Hanke, F, Havu, P, Havu, V, Ren, X, Reuter, K, and Scheffler, M. "Ab initio molecular simulations with numeric atom-centered orbitals." Computer Physics Communications 180.11 (November 2009): 2175-2196. Full Text

Blum, V, Gehrke, R, Hanke, F, Havu, P, Havu, V, Ren, X, Reuter, K, and Scheffler, M. " Ab initio molecular simulations with numeric atom-centered orbitals." Computer Physics Communications 180 (2009): 2175-2196. (Academic Article)

Barabash, SV, Chepulskii, RV, Blum, V, and Zunger, A. "First-principles determination of low-temperature order and ground states of Fe-Ni, Fe-Pd, and Fe-Pt." Physical Review B 80 (2009): 220201-220201. (Academic Article)

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