Volker Blum

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Katkıda bulunan yazarlar

Matthias SchefflerDirector at Fritz-Haber-Institut der Max-Planck-Gesellschaftfhi-berlin.mpg.de üzerinde doğrulanmış e-posta adresine sahip
Karsten ReuterDirector at Fritz-Haber-Institut der MPGfhi-berlin.mpg.de üzerinde doğrulanmış e-posta adresine sahip
William P. HuhnArgonne National Laboratoryanl.gov üzerinde doğrulanmış e-posta adresine sahip
Alex ZungerUniversity of Colorado ,Boulder,Colorado.Renewable and Sustainable Energy Institutecolorado.edu üzerinde doğrulanmış e-posta adresine sahip
David B. MitziDuke Universityduke.edu üzerinde doğrulanmış e-posta adresine sahip
Xinguo RenInstitute of Physics, Chinese Academy of Sciencesustc.edu.cn üzerinde doğrulanmış e-posta adresine sahip
Patrick RinkeProfessor at Aalto University, Helsinkiaalto.fi üzerinde doğrulanmış e-posta adresine sahip
Lydia NemecTechnische Universität Münchentum.de üzerinde doğrulanmış e-posta adresine sahip
Mariana RossiHead of Independent Lise Meitner Group, MPI for Structure and Dynamics of Matter, Hamburgmpsd.mpg.de üzerinde doğrulanmış e-posta adresine sahip
Bettina LotschMax Planck Institute for Solid State Research and University of Munich (LMU)fkf.mpg.de üzerinde doğrulanmış e-posta adresine sahip
Chi LiuPhd Student, Duke Universityduke.edu üzerinde doğrulanmış e-posta adresine sahip
Svenja M. JankeUniversity of Warwickwarwick.ac.uk üzerinde doğrulanmış e-posta adresine sahip
Tong ZhuPhd Student of Mechanical Engineering & Materials Science, Duke Universityduke.edu üzerinde doğrulanmış e-posta adresine sahip
Alexandre TkatchenkoProfessor of Physics, University of Luxembourg; Visiting Professor, Berlin Big Data Centeruni.lu üzerinde doğrulanmış e-posta adresine sahip
Hermann LedererMax Planck Computing and Data Facilitympcdf.mpg.de üzerinde doğrulanmış e-posta adresine sahip
Vincent Wing-hei Laukorea.ac.kr üzerinde doğrulanmış e-posta adresine sahip
Gert von HeldenSenior Staff Researcher, Fritz-Haber-Institut der Max-Planck-Gesellschaftfhi-berlin.mpg.de üzerinde doğrulanmış e-posta adresine sahip
Matti RopoUniversity of Turkuutu.fi üzerinde doğrulanmış e-posta adresine sahip
Tiago BotariPostdoctoral Scholarusp.br üzerinde doğrulanmış e-posta adresine sahip
Gus L. W. HartBrigham Young University, Physics and Astronomybyu.edu üzerinde doğrulanmış e-posta adresine sahip

Volker Blum

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

duke.edu üzerinde doğrulanmış e-posta adresine sahip - Ana Sayfa

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


Başlık Alıntılara göre sırala Yıla göre sırala Başlığa göre sırala	Alıntı yapanlar Alıntı yapanlar	Yıl
< 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	1795	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	756*	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	462	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	380	2009
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	323	2016
Evolutionary approach for determining first-principles hamiltonians GLW Hart, V Blum, MJ Walorski, A Zunger Nature materials 4 (5), 391-394, 2005	319	2005
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	234	2003
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	227	2015
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	223	2011
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	197	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	163	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	149	2005
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	137	2017
Fast LEED intensity calculations for surface crystallography using Tensor LEED V Blum, K Heinz Computer physics communications 134 (3), 392-425, 2001	131	2001
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	108	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	107	2013
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	107*	2007
Accuracy of first-principles lateral interactions: Oxygen at Pd (100) Y Zhang, V Blum, K Reuter Physical Review B 75 (23), 235406, 2007	103	2007
Hybrid functionals for large periodic systems in an all-electron, numeric atom-centered basis framework SV Levchenko, X Ren, J Wieferink, R Johanni, P Rinke, V Blum, ... Computer Physics Communications 192, 60-69, 2015	97	2015
Mixed-basis cluster expansion for thermodynamics of bcc alloys V Blum, A Zunger Physical Review B 70 (15), 155108, 2004	97	2004

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