Volker Blum - Google Scholar

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	All	Since 2015
Citations	7544	5400
h-index	42	34
i10-index	73	63

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Matthias SchefflerDirector at Fritz-Haber-Institut der Max-Planck-GesellschaftVerified email at fhi-berlin.mpg.de
Karsten ReuterDirector at Fritz-Haber-Institut der MPGVerified email at ch.tum.de
William P. HuhnArgonne National LaboratoryVerified email at anl.gov
Alex ZungerUniversity of Colorado ,Boulder,Colorado.Renewable and Sustainable Energy InstituteVerified email at colorado.edu
Xinguo RenProfessor of Physics, University of Science and Technology of ChinaVerified email at ustc.edu.cn
Patrick RinkeProfessor at Aalto University, HelsinkiVerified email at aalto.fi
David B. MitziDuke UniversityVerified email at duke.edu
Lydia NemecTechnische Universität MünchenVerified email at tum.de
Mariana RossiHead of Independent Lise Meitner Group, MPI for Structure and Dynamics of Matter, HamburgVerified email at mpsd.mpg.de
Bettina LotschMax Planck Institute for Solid State Research and University of Munich (LMU)Verified email at fkf.mpg.de
Alexandre TkatchenkoProfessor of Physics, University of Luxembourg; Visiting Professor, Berlin Big Data CenterVerified email at uni.lu
Gert von HeldenSenior Staff Researcher, Fritz-Haber-Institut der Max-Planck-GesellschaftVerified email at fhi-berlin.mpg.de
Vincent Wing-hei LauVerified email at dongguk.edu
Tong ZhuPhd Student of Mechanical Engineering & Materials Science, Duke UniversityVerified email at duke.edu
Hermann LedererDeputy director, Max Planck Computing and Data FacilityVerified email at mpcdf.mpg.de
Gus L. W. HartBrigham Young University, Physics and AstronomyVerified email at byu.edu
Chi LiuPhd Student, Duke UniversityVerified email at duke.edu
Felix HankeBIOVIA - Dassault SystèmesVerified email at accelrys.com
Tiago BotariPostdoctoral ScholarVerified email at usp.br
Carsten BaldaufFritz-Haber-Institut der MPGVerified email at fhi-berlin.mpg.de

Volker Blum

Associate Professor, MEMS Department - Duke University, Durham, NC

Verified email at duke.edu - Homepage

First principles computational materials science: Structure dynamics spectroscopy function of materials surfaces & molecules


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< i> Ab initio</i> molecular simulations with numeric atom-centered orbitals V Blum, R Gehrke, F Hanke, P Havu, V Havu, X Ren, K Reuter, ... Computer Physics Communications 180 (11), 2175-2196, 2009	1606	2009
Reproducibility in density functional theory calculations of solids K Lejaeghere, G Bihlmayer, T Björkman, P Blaha, S Blügel, V Blum, ... Science 351 (6280), 2016	521	2016
Resolution-of-identity approach to Hartree–Fock, hybrid density functionals, RPA, MP2 and GW with numeric atom-centered orbital basis functions X Ren, P Rinke, V Blum, J Wieferink, A Tkatchenko, A Sanfilippo, K Reuter, ... New Journal of Physics 14 (5), 053020, 2012	428	2012
Efficient O (N) integration for all-electron electronic structure calculation using numeric basis functions V Havu, V Blum, P Havu, M Scheffler Journal of Computational Physics 228 (22), 8367-8379, 2009	345	2009
Evolutionary approach for determining first-principles hamiltonians GLW Hart, V Blum, MJ Walorski, A Zunger Nature materials 4 (5), 391-394, 2005	312	2005
Rational design of carbon nitride photocatalysts by identification of cyanamide defects as catalytically relevant sites VW Lau, I Moudrakovski, T Botari, S Weinberger, MB Mesch, V Duppel, ... Nature Communications 7, 2016	257	2016
The Pd (1 0 0)–(5× 5) R27°-O surface oxide revisited M Todorova, E Lundgren, V Blum, A Mikkelsen, S Gray, J Gustafson, ... Surface science 541 (1-3), 101-112, 2003	220	2003
Parallel solution of partial symmetric eigenvalue problems from electronic structure calculations T Auckenthaler, V Blum, HJ Bungartz, T Huckle, R Johanni, L Krämer, ... Parallel Computing 37 (12), 783-794, 2011	204	2011
Low-Molecular-Weight Carbon Nitrides for Solar Hydrogen Evolution VW Lau, MB Mesch, V Duppel, V Blum, J Senker, BV Lotsch Journal of the American Chemical Society 137 (3), 1064-1072, 2015	202	2015
The ELPA library: scalable parallel eigenvalue solutions for electronic structure theory and computational science A Marek, V Blum, R Johanni, V Havu, B Lang, T Auckenthaler, A Heinecke, ... Journal of Physics: Condensed Matter 26 (21), 213201, 2014	172	2014
Direct and cost-efficient hyperpolarization of long-lived nuclear spin states on universal 15N2-diazirine molecular tags T Theis, GX Ortiz, AWJ Logan, KE Claytor, Y Feng, WP Huhn, V Blum, ... Science Advances 2 (3), e1501438, 2016	152	2016
Using genetic algorithms to map first-principles results to model Hamiltonians: Application to the generalized Ising model for alloys V Blum, GLW Hart, MJ Walorski, A Zunger Physical Review B 72 (16), 165113, 2005	141	2005
Fast LEED intensity calculations for surface crystallography using Tensor LEED V Blum, K Heinz Computer physics communications 134 (3), 392-425, 2001	127	2001
Urea‐Modified Carbon Nitrides: Enhancing Photocatalytic Hydrogen Evolution by Rational Defect Engineering VW Lau, VW Yu, F Ehrat, T Botari, I Moudrakovski, T Simon, V Duppel, ... Advanced Energy Materials 7 (12), 1602251, 2017	114	2017
Unraveling the stability of polypeptide helices: critical role of van der Waals interactions A Tkatchenko, M Rossi, V Blum, J Ireta, M Scheffler Physical review letters 106 (11), 118102, 2011	100	2011
Accuracy of first-principles lateral interactions: Oxygen at Pd (100) Y Zhang, V Blum, K Reuter Physical Review B 75 (23), 235406, 2007	98	2007
The Pd (100)-(root 5 x root 5)R27 degrees-O surface oxide: A LEED, DFT and STM study P Kostelník, N Seriani, G Kresse, A Mikkelsen, E Lundgren, V Blum, ... Surface Science 601 (6), 1574-1581, 2007	98*	2007
Mixed-basis cluster expansion for thermodynamics of bcc alloys V Blum, A Zunger Physical Review B 70 (15), 155108, 2004	96	2004
Isomer-Selective Detection of Hydrogen-Bond Vibrations in the Protonated Water Hexamer N Heine, MR Fagiani, M Rossi, T Wende, G Berden, V Blum, KR Asmis Journal of the American Chemical Society 135 (22), 8266-8273, 2013	93	2013
Secondary Structure of Ac-Ala n-LysH+ Polyalanine Peptides (n= 5, 10, 15) in Vacuo: Helical or Not? M Rossi, V Blum, P Kupser, G von Helden, F Bierau, K Pagel, G Meijer, ... The Journal of Physical Chemistry Letters 1 (24), 3465-3470, 2010	87	2010

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