Volker Blum

Associate Professor in the Department of Mechanical Engineering and Materials Science

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

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 (2011): 118102-118102. (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)

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." *Comp. Phys. Commun.* 180 (2009): 2175-2196. (Academic Article)
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Havu, V, Blum, V, Havu, P, and Scheffler, M. "Efficient O (N) integration for all-electron electronic structure calculation using numeric basis functions." *Journal of Computational Physics* 228 (2009): 8367-8379. (Academic Article)

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)

Kostelník, P, Seriani, N, Kresse, G, Mikkelsen, A, Lundgren, E, Blum, V, Šikola, T, Varga, P, and Schmid, M. "The Pd (1 0 0) - (sqrt(5) × sqrt(5)) R 27 ° s(-) O surface oxide: A LEED, DFT and STM study." *Surface Science* 601.6 (March 15, 2007): 1574-1581.
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Zhang, Y, Blum, V, and Reuter, K. "Accuracy of first-principles lateral interactions: Oxygen at Pd (100)." *Physical Review B* 75 (2007): 235406-235406. (Academic Article)

Kostelník, P, Seriani, N, Kresse, G, Mikkelsen, A, Lundgren, E, Blum, V, Šikola, T, Varga, P, and Schmid, M. "The Pd (100)-(root 5 x root 5)R27 degrees-O surface oxide: A LEED, DFT and STM study." *Surface Science* 601 (2007): 1574-1581. (Academic Article)

Barabash, SV, Blum, V, Mueller, S, and Zunger, A. "Prediction of unusual stable ordered structures of Au-Pd alloys via a first-principles cluster expansion." *PHYSICAL REVIEW B* 74.3 (July 2006).
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