Faculty Profiles

Volker Blum



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

Liu, C, Huhn, W, Du, K-Z, Vazquez-Mayagoitia, A, Dirkes, D, You, W, Kanai, Y, Mitzi, DB, and Blum, V. "Tunable Semiconductors: Control over Carrier States and Excitations in Layered Hybrid Organic-Inorganic Perovskites." Physical Review Letters 121.14 (October 2018): 146401-null. Full Text

Wessler, GC, Zhu, T, Sun, J-P, Harrell, A, Huhn, WP, Blum, V, and Mitzi, DB. "Band Gap Tailoring and Structure-Composition Relationship within the Alloyed Semiconductor Cu2BaGe1–xSnxSe4." Chemistry of Materials 30.18 (September 25, 2018): 6566-6574. Full Text

Yu, VW-Z, Corsetti, F, García, A, Huhn, WP, Jacquelin, M, Jia, W, Lange, B, Lin, L, Lu, J, Mi, W, Seifitokaldani, A, Vázquez-Mayagoitia, Á, Yang, C, Yang, H, and Blum, V. "ELSI: A unified software interface for Kohn–Sham electronic structure solvers." Computer Physics Communications 222 (January 2018): 267-285. Full Text Open Access Copy

Sinstein, M, Scheurer, C, Matera, S, Blum, V, Reuter, K, and Oberhofer, H. "Efficient Implicit Solvation Method for Full Potential DFT." Journal of Chemical Theory and Computation 13.11 (November 2017): 5582-5603. Full Text

Zhu, T, Huhn, WP, Wessler, GC, Shin, D, Saparov, B, Mitzi, DB, and Blum, V. "I2–II–IV–VI4 (I = Cu, Ag; II = Sr, Ba; IV = Ge, Sn; VI = S, Se): Chalcogenides for Thin-Film Photovoltaics." Chemistry of Materials 29.18 (September 26, 2017): 7868-7879. Full Text

Zhou, Z, Yu, J, Colell, JFP, Laasner, R, Logan, A, Barskiy, DA, Shchepin, RV, Chekmenev, EY, Blum, V, Warren, WS, and Theis, T. "Long-Lived 13C2 Nuclear Spin States Hyperpolarized by Parahydrogen in Reversible Exchange at Microtesla Fields." The Journal of Physical Chemistry Letters 8.13 (July 2017): 3008-3014. Full Text

Lau, VW-H, Yu, VW-Z, Ehrat, F, Botari, T, Moudrakovski, I, Simon, T, Duppel, V, Medina, E, Stolarczyk, JK, Feldmann, J, Blum, V, and Lotsch, BV. "Urea-Modified Carbon Nitrides: Enhancing Photocatalytic Hydrogen Evolution by Rational Defect Engineering." Advanced Energy Materials 7.12 (June 2017): 1602251-1602251. Full Text

Shin, D, Zhu, T, Huang, X, Gunawan, O, Blum, V, and Mitzi, DB. "Earth-Abundant Chalcogenide Photovoltaic Devices with over 5% Efficiency Based on a Cu2 BaSn(S,Se)4 Absorber." Advanced Materials (Deerfield Beach, Fla.) 29.24 (June 2017). Full Text

Botari, T, Huhn, WP, Lau, VW-H, Lotsch, BV, and Blum, V. "Thermodynamic Equilibria in Carbon Nitride Photocatalyst Materials and Conditions for the Existence of Graphitic Carbon Nitride g-C3N4." Chemistry of Materials 29.10 (May 23, 2017): 4445-4453. Full Text

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


Baldauf, C, Ropo, M, Blum, V, and Scheffler, M. "How mono-valent cations bend peptide turns and a first-principles database of amino acids and dipeptides." INTERNATIONAL CONFERENCE OF COMPUTATIONAL METHODS IN SCIENCES AND ENGINEERING 2014 (ICCMSE 2014).: AIP Publishing LLC, 2014. Full Text

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?.": Elsevier BV, January 2014. Full Text

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

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.": Elsevier BV, January 2012. Full Text