Blum, Volker - Duke University - Department of Mechanical Engineering and Materials Science

个人简介

Education 2001 ∙ Dr. rer. nat., Physics, Friedrich-Alexander-Universität Erlangen-Nürnberg, Erlangen, Germany 1996 ∙ Diplom-Physiker , Friedrich-Alexander-Universität Erlangen-Nürnberg, Erlangen, Germany Professional Experience 2013 - present ∙ Duke University, Durham, NC 2013 - present ∙ Primary Appointment: Department of Mechanical Engineering and Materials Science 2015 - present ∙ Secondary Appointment: Department of Chemistry 2004 - 2013 ∙ Scientist (since 2009: Group Leader), Theory Department, Fritz Haber Institute of the Max Planck Society, Berlin, Germany 2002 - 2004 ∙ Postdoctoral Researcher, Solid State Theory Group, National Renewable Energy Laboratory, Golden, CO Awards, Honors, Service 2023 - ∙ Chair, Science & Software Advisory Board, The Molecular Sciences Software Institute, Blacksburg, VA 2021 - 2023 ∙ Member, Science & Software Advisory Board, The Molecular Sciences Software Institute, Blacksburg, VA 2021 - ∙ Principal Editor, Computer Physics Communications 2018 - ∙ Editorial Board Member, Electronic Structure 2016 - 2021 ∙ Specialist Editor "Condensed Matter Physics", Computer Physics Communications 2016 - 2017 ∙ August-Wilhelm Scheer Visiting Professorship, Technical University of Munich, Germany 2016 ∙ Outstanding Referee of the Physical Review Journals 2002 ∙ Staedtler Foundation Prize for Outstanding Doctoral Thesis 1990 - 1996 ∙ State of Bavaria Scholarship for Outstanding Students

研究领域

Quantum-mechanics based theories such as density-functional theory now allow one to address nanostructures of up to a few thousand atoms, as well as periodic solids, surfaces, and nanowires, their defects, electronic structure, optical properties etc. The field is moving fast, fueled by the advances of computers, and by the algorithms, approximations, and computer codes developed by groups such as ours.

近期论文

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Jee Yung Park, Ruyi Song, Jie Liang, Linrui Jin, Kang Wang, Shunran Li, Enzheng Shi, Yao Gao, Matthias Zeller, Simon J. Teat, Peijun Guo, Libai Huang, Yong Sheng Zhao, Volker Blum and Letian Dou Thickness Control of Organic Semiconductor-Incorporated Perovskites Nature Chemistry (2023). DOI: 10.1038/s41557-023-01311-0 Ruyi Song, Chi Liu, Yosuke Kanai, David B. Mitzi and Volker Blum Structural and Electronic Tunability of Acene Alkylamine based Layered Hybrid Organic-Inorganic Perovskites from First Principles Physical Review Materials 7, 084601 (2023). DOI: 10.1103/PhysRevMaterials.7.084601 Qinxuan Cao, Ruyi Song, Christopher C. S. Chan, Zhiyu Wang, Pui Ying Wong, Kan Sing Wong, Volker Blum and Haipeng Lu Chiral Perovskite Nanoplatelets with Tunable Circularly Polarized Luminescence in the Strong Confinement Regime Advanced Optical Materials, 2203125 (2023). DOI: 10.1002/adom.2203125 Young-Hoon Kim, Ruyi Song, Ji Hao, Yaxin Zhai, Liang Yan, Taylor Moot, Axel F. Palmstrom, Roman Brunecky, Wei You, Joseph J. Berry, Jeffrey L. Blackburn, Matthew C. Beard, Volker Blum and Joseph M. Luther The Structural Origin of Chiroptical Properties in Perovskite Nanocrystals with Chiral Organic Ligands Advanced Functional Materials 32, 2200454 (2022). DOI: 10.1002/adfm.202200454 Manoj K. Jana, Ruyi Song, Yi Xie, Rundong Zhao, Peter C. Sercel, Volker Blum and David B. Mitzi Structural Descriptor for Enhanced Spin-Splitting in 2D Hybrid Perovskites Nature Communications 12, 4982 (2021). DOI: 10.1038/s41467-021-25149-7 Xinguo Ren, Florian Merz, Hong Jiang, Yi Yao, Markus Rampp, Hermann Lederer, Volker Blum and Matthias Scheffler All-electron periodic G0W0 implementation with numerical atomic orbital basis functions: algorithm and benchmarks submitted for publication (2020). Shangshang Chen, Yehao Deng, Hangyu Gu, Shuang Xu, Shen Wang, Zhenhua Yu, Volker Blum and Jinsong Huang Trapping lead in perovskite solar modules with abundant and low-cost cation-exchange resins Nature Energy (2020). DOI: 10.1038/s41560-020-00716-2 Manoj K. Jana, Ruyi Song, Haoliang Liu, Dipak Rajkhanal, Svenja M. Janke, Chi Liu, Rundong Zhao, Z. Valy Vardeny, Volker Blum and David B. Mitzi Organic-to-inorganic structural chirality transfer in a 2D hybrid perovskite: Impact on Rashba-Dresselhaus spin-orbit coupling Nature Communications 11, 4699 (2020). DOI: 10.1038/s41467-020-18485-7 Haipeng Lu, Chuanxiao Xiao, Ruyi Song, Tianyang Li, Annalise Maughan, Andrew Levin, Roman Brunecky, Joseph J. Berry, David Mitzi, Volker Blum, Matthew Beard Highly Distorted Chiral Two-Dimensional Tin Iodide Perovskites for Spin Polarized Charge Transport Journal of the American Chemical Society 142, 13030-13040 (2020), DOI: 10.1021/jacs.0c03899 . Levi Keller, Volker Blum, Patrick Rinke, Dorothea Golze Relativistic correction scheme for core-level binding energies from GW The Journal of Chemical Physics 153, 114110 (2020). DOI: 10.1063/5.0018231 Micael J. T. Oliveira, Nick Papior, Yann Pouillon, Volker Blum, Emilio Artacho, Damien Caliste, Fabiano Corsetti, Stefano de Gironcoli, Alin M. Elena, Alberto Garcia, Victor Garcia-Suarez, Luigi Genovese, William P. Huhn, Georg Huhs, Sebastian Kokott, Emine Kücükbenli, Ask H. Larsen, Alfio Lazzaro, Irina Lebedeva, Yingzhou Li, David Lopez-Duran, Pablo Lopez-Tarifa, Martin Lüders, Miguel A. L. Marques, Jan Minar, Stephan Mohr, Arash A. Mostofi, Alan O’Cais, Mike C. Payne, Thomas Ruh, Daniel G. A. Smith, Jose M. Soler, David A. Strubbe, Nicolas Tancogne-Dejean, Dominic Tildesley, Marc Torrent, Victor Wen-zhe Yu The CECAM Electronic Structure Library and the modular software development paradigm The Journal of Chemical Physics 153, 024117 (2020), DOI: 10.1063/5.0012901 . Svenja M. Janke, Mariana Rossi, Sergey Levchenko, Sebastian Kokott, Matthias Scheffler and Volker Blum Pentacene and Tetracene Molecules and Films on H/Si(111): Level Alignment from Hybrid Density Functional Theory Electronic Structure 2, 035002 (2020), DOI: 10.1088/2516-1075/ab9bb5. Victor Wen-zhe Yu, Jonathan Moussa, Pavel Kůs, Andreas Marek, Peter Messmer, Mina Yoon, Hermann Lederer, Volker Blum GPU-Acceleration of the ELPA2 Distributed Eigensolver for Dense Symmetric and Hermitian Eigenproblems Computer Physics Communications, DOI: 10.1016/j.cpc.2020.107808 (accepted December 18, 2020). Victor Wen-zhe Yu, Carmen Campos, William Dawson, Alberto García, Ville Havu, Ben Hourahine, William P Huhn, Mathias Jacquelin, Weile Jia, Murat Keçeli, Raul Laasner, Yingzhou Li, Lin Lin, Jianfeng Lu, Jonathan Moussa, Jose E Roman, Álvaro Vázquez-Mayagoitia, Chao Yang, Volker Blum ELSI--An Open Infrastructure for Electronic Structure Solvers Computer Physics Communications 256, 107459 (2020), DOI: 10.1016/j.cpc.2020.107459. Alberto Garcia, Nick Papior, Arsalan Akhtar, Emilio Artacho, Volker Blum, Emanuele Bosoni, Pedro Brandimarte, Mads Brandbyge, J. I. Cerda, Fabiano Corsetti, Ramon Cuadrado, Vladimir Dikan, Jaime Ferrer, Julian Gale, Pablo Garcia-Fernandez, V. M. Garcia-Suarez, Sandra Garcia, Georg Huhs, Sergio Illera, Richard Korytar, Peter Koval, Irina Lebedeva, Lin Lin, Pablo Lopez-Tarifa, Sara G. Mayo, Stephan Mohr, Pablo Ordejon, Andrei Postnikov, Yann Pouillon, Miguel Pruneda, Roberto Robles, Daniel Sanchez-Portal, Jose M. Soler, Rafi Ullah, Victor Wen-zhe Yu, and Javier Junquera The Siesta method: recent developments and applications The Journal of Chemical Physics 152, 204108 (2020). William Huhn, Björn Lange, Victor Wen-zhe Yu, Mina Yoon, Volker Blum GPGPU Acceleration of All-Electron Electronic Structure Theory Using Localized Numeric Atom-Centered Basis Functions Computer Physics Communications 254, 107314 (2020). DOI: 10.1016/j.cpc.2020.107314. Jan Kloppenburg, Lydia Nemec, Björn Lange, Matthias Scheffler, Volker Blum The (3×3)-SiC-(-1,-1,-1) Reconstruction: Atomic Structure of the Graphene Precursor Surface from a Large-Scale First-Principles Structure Search Preprint: arXiv:1910.09608 Johannes F. P. Colell, Angus W. J. Logan, Zijian Zhou, Jacob R. Lindale, Raul Laasner, Roman V. Shchepin, Eduard Y. Chekmenev, Volker Blum, Warren S. Warren, Steven J. Malcolmson and Thomas Theis Rational ligand choice extends the SABRE substrate scope Chemical Communications, DOI: 10.1039/D0CC01330G (2020). B. Hourahine, B. Aradi, V. Blum, F. Bonafe, A. Buccheri, C. Camacho, C. Cevallos, M. Y. Deshaye, T. Dumitrica, A. Dominguez, S. Ehlert, M. Elstner, T. van der Heide, J. Hermann, S. Irle, J. J. Kranz, C. Köhler, T. Kowalczyk, T. Kubar, I. S. Lee, V. Lutsker, R. J. Maurer, S. K. Min, I. Mitchell, C. Negre, T. A. Niehaus, A. M. N. Niklasson, A. J. Page, A. Pecchia, G. Penazzi, M. P. Persson, J. Rezac, C. G. Sanchez, M. Sternberg, M. Stöhr, F. Stuckenberg, A. Tkatchenko, V. W.-z. Yu and T. Frauenheim DFTB+, a software package for efficient approximate density functional theory based atomistic simulations The Journal of Chemical Physics 152, 124101 (2020). DOI: 10.1063/1.5143190 Svenja Janke, Mohammad Qarai, Volker Blum, and Francis Spano Frenkel-Holstein Hamiltonian Applied to Absorption Spectra of Quaterthiophene-based 2D Hybrid Organic-Inorganic Perovskites The Journal of Chemical Physics 152, 144702 (2020). DOI: 10.1063/1.5139044 Jon-Paul Sun, Garrett C McKeown Wessler, Tianlin Wang, Tong Zhu, Volker Blum, David B Mitzi A Structural Tolerance Factor Approach to Defect-Resistant I2-II-IV-X4 Semiconductor Design Chemistry of Materials, 32, 1636-1649 (2020). DOI: 10.1021/acs.chemmater.9b05107 Chi Liu, Jan Kloppenburg, Yi Yao, Xinguo Ren, Heiko Appel, Yosuke Kanai, Volker Blum 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 (2020). DOI: 10.1063/1.5123290 Raul Laasner, Xiaochen Du, Aditya Tanikanti, Connor Clayton, Marco Govoni, Giulia Galli, Matti Ropo, Volker Blum MatD3: A Database and Online Presentation Package for Research Data Supporting Materials Discovery, Design and Dissemination Journal of Open Source Software 5, 1945 (2020). DOI: 10.21105/joss.01945 Yao Gao, Enzheng Shi, Shibin Deng, Stephen B. Shiring, Jordan M. Snaider, Chao Liang, Biao Yuan, Ruyi Song, Svenja M. Janke, Alexander Liebman-Peláez, Pilsun Yoo, Matthias Zeller, Bryan W. Boudouris, Peilin Liao, Chenhui Zhu, Volker Blum, Yi Yu, Brett M. Savoie, Libai Huang, Letian Dou Molecular Engineering of Organic-inorganic Hybrid Perovskites Quantum Wells Nature Chemistry, 11, 1151-1157 (2019). DOI: 10.1038/s41557-019-0354-2 Manoj K Jana, Chi Liu, Sven Lidin, David J Dirkes, Wei You, Volker Blum, David B Mitzi Resolving rotational stacking disorder and electronic level alignment in a 2D oligothiophene-based lead iodide perovskite Chemistry of Materials, 31, 8523-8532 (2019). DOI: 10.1021/acs.chemmater.9b03208 Jun Li, Qingxiao Wang, Guowei He, Michael Widom, Lydia Nemec, Volker Blum, Moon Kim, Patrick Rinke, Randall M Feenstra Formation of graphene atop a Si adlayer on the C-face of SiC Physical Review Materials 3, 084006 (2019). DOI: 10.1103/PhysRevMaterials.3.084006 Manoj K Jana, Svenja M Janke, David J Dirkes, Seyitliyev Dovletgeldi, Chi Liu, Xixi Qin, Kenan Gundogdu, Wei You, Volker Blum, David B Mitzi Direct-Bandgap 2D Silver-Bismuth Iodide Double Perovskite: The Structure-Directing Influence of an Oligothiophene Spacer Cation Journal of the American Chemical Society, 141, 7955-7964 (2019). DOI: 10.1021/jacs.9b02909 Wiley A. Dunlap-Shohl, E. Tomas Barraza, Andrew Barrette, Seyitliyev Dovletgeldi, Gamze Findik, David J. Dirkes, Chi Liu, Manoj K. Jana, Volker Blum, Wei You, Kenan Gundogdu, Adrienne D. Stiff-Roberts, and David B. Mitzi Tunable internal quantum well alignment in rationally designed oligomer-based perovskite films deposited by resonant infrared matrix-assisted pulsed laser evaporation Materials Horizons 6 1707-1716, (2019). DOI: 10.1039/C9MH00366E