Volker Blum - Google Scholar Citations

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	All	Since 2014
Citations	5610	3871
h-index	38	30
i10-index	66	54

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Matthias SchefflerDirector at Fritz-Haber-Institut der Max-Planck-GesellschaftVerified email at fhi-berlin.mpg.de
Karsten ReuterChair of Theoretical Chemistry at TU MunichVerified email at ch.tum.de
Alex ZungerUniversity of Colorado ,Boulder,Colorado.Renewable and Sustainable Energy InstituteVerified email at colorado.edu
William P. HuhnDuke UniversityVerified email at duke.edu
Patrick RinkeProfessor at Aalto University, HelsinkiVerified email at aalto.fi
Xinguo RenProfessor of Physics, University of Science and Technology of ChinaVerified email at ustc.edu.cn
Alexandre TkatchenkoProfessor of Physics, University of Luxembourg; Visiting Professor, Berlin Big Data CenterVerified email at uni.lu
Mariana RossiOtto Hahn Group Leader, Fritz Haber Institute of the Max Planck Society, BerlinVerified email at fhi-berlin.mpg.de
Lydia NemecTechnische Universität MünchenVerified email at tum.de
Bettina LotschMax Planck Institute for Solid State Research and University of Munich (LMU)Verified email at fkf.mpg.de
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
David B. MitziDuke UniversityVerified email at duke.edu
Felix HankeBIOVIA - Dassault SystèmesVerified email at accelrys.com
Gus L. W. HartBrigham Young University, Physics and AstronomyVerified email at byu.edu
Carsten BaldaufFritz-Haber-Institut der MPGVerified email at fhi-berlin.mpg.de
Hermann LedererActing director, Max Planck Computing and Data FacilityVerified email at mpcdf.mpg.de
Edvin LundgrenLund UniversityVerified email at sljus.lu.se
Kevin PagelFreie Universität BerlinVerified email at fu-berlin.de
Tong ZhuPhd Student of Mechanical Engineering & Materials Science, Duke UniversityVerified email at duke.edu

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


Title	Cited by	Year
< 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	1215	2009
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	327	2012
Reproducibility in density functional theory calculations of solids K Lejaeghere, G Bihlmayer, T Björkman, P Blaha, S Blügel, V Blum, ... Science 351 (6280), aad3000, 2016	298	2016
Evolutionary approach for determining first-principles hamiltonians GLW Hart, V Blum, MJ Walorski, A Zunger Nature materials 4 (5), 391-394, 2005	287	2005
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	259	2009
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	215	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	156	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	141	2015
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	136	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	129	2005
Fast LEED intensity calculations for surface crystallography using Tensor LEED V Blum, K Heinz Computer physics communications 134 (3), 392-425, 2001	120	2001
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	100	2014
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
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	94	2016
Accuracy of first-principles lateral interactions: Oxygen at Pd (100) Y Zhang, V Blum, K Reuter Physical Review B 75 (23), 235406, 2007	94	2007
Mixed-basis cluster expansion for thermodynamics of bcc alloys V Blum, A Zunger Physical Review B 70 (15), 155108, 2004	92	2004
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	90	2011
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	80	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	77	2010
Prediction of unusual stable ordered structures of Au-Pd alloys via a first-principles cluster expansion SV Barabash, V Blum, S Müller, A Zunger Physical Review B 74 (3), 035108, 2006	73	2006

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