Faculty Profiles

Volker Blum
Associate Professor in the Department of Mechanical Engineering and Materials Science

Overview

Education:

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

Jensen, SR, Saha, S, Flores-Livas, JA, Huhn, W, Blum, V, Goedecker, S, and Frediani, L. "The Elephant in the Room of Density Functional Theory Calculations." The journal of physical chemistry letters 8.7 (April 2017): 1449-1457. Full Text

Lau, VW-H, Yu, VW-Z, Ehrat, F, Botari, T, Moudrakovski, I, Simon, T, Duppel, V, Medina, E, Stolarczyk, J, Feldmann, J, Blum, V, and Lotsch, BV. "Urea-Modified Carbon Nitrides: Enhancing Photocatalytic Hydrogen Evolution by Rational Defect Engineering." Advanced Energy Materials (January 2017): 1602251-1602251. Full Text

Shin, D, Saparov, B, Zhu, T, Huhn, WP, Blum, V, and Mitzi, DB. "BaCu 2 Sn(S,Se) 4 : Earth-Abundant Chalcogenides for Thin-Film Photovoltaics." Chemistry of Materials 28.13 (July 12, 2016): 4771-4780. Full Text

Lau, VWH, Moudrakovski, I, Botari, T, Weinberger, S, Mesch, MB, Duppel, V, Senker, J, Blum, V, and Lotsch, BV. "Rational design of carbon nitride photocatalysts by identification of cyanamide defects as catalytically relevant sites." Nature Communications 7 (July 8, 2016). Full Text

Theis, T, Ortiz, GX, Logan, AWJ, Claytor, KE, Feng, Y, Huhn, WP, Blum, V, Malcolmson, SJ, Chekmenev, EY, Wang, Q, and Warren, WS. "Direct and cost-efficient hyperpolarization of long-lived nuclear spin states on universal (15)N2-diazirine molecular tags." Science advances 2.3 (March 25, 2016): e1501438-. Full Text Open Access Copy

Lejaeghere, K, Bihlmayer, G, Björkman, T, Blaha, P, Blügel, S, Blum, V, Caliste, D, Castelli, IE, Clark, SJ, Dal Corso, A, de Gironcoli, S, Deutsch, T, Dewhurst, JK, Di Marco, I, Draxl, C, Dułak, M, Eriksson, O, Flores-Livas, JA, Garrity, KF, Genovese, L, Giannozzi, P, Giantomassi, M, Goedecker, S, Gonze, X, Grånäs, O, Gross, EKU, Gulans, A, Gygi, F, Hamann, DR, Hasnip, PJ, Holzwarth, NAW, Iuşan, D, Jochym, DB, Jollet, F, Jones, D, Kresse, G, Koepernik, K, Küçükbenli, E, and Kvashnin, YO et al. "Reproducibility in density functional theory calculations of solids." Science (New York, N.Y.) 351.6280 (March 2016): aad3000-. Full Text

Ropo, M, Schneider, M, Baldauf, C, and Blum, V. "First-principles data set of 45,892 isolated and cation-coordinated conformers of 20 proteinogenic amino acids." Scientific data 3 (January 2016): 160009-. Full Text

Lau, VW-H, Moudrakovski, I, Botari, T, Weinberger, S, Mesch, MB, Duppel, V, Senker, J, Blum, V, and Lotsch, BV. "Rational design of carbon nitride photocatalysts by identification of cyanamide defects as catalytically relevant sites." Nature communications 7 (January 2016): 12165-. Full Text

Pages

Baldauf, C, Schubert, F, Pagel, K, Warnke, S, Rossi, M, Salwiczek, M, Koksch, B, von Helden, G, and Blum, V. "Is there a Beta-Peptide Equivalent of the Alpha-Helix?." January 28, 2014.

Rossi, M, Chutia, S, and Blum, V. "Benchmarking the Water-Peptide Interaction." January 29, 2013.

Schubert, F, Rossi, M, Baldauf, C, Blum, V, and Scheffler, M. "How a Simple Sequence Change Induces Antipodal Folding Characteristics: Ac-Ala(19)-Lys + H+ Vs. Ac-Lys-Ala(19) + H+." January 29, 2013.

Baldauf, C, Pagel, K, Warnke, S, von Helden, G, Meijer, G, Koksch, B, Blum, V, and Scheffler, M. "Local Conformational Preferences of Peptides Near Attached Cations: Structure Determination by First-Principles Theory and IR-Spectroscopy." January 31, 2012.