Volker Blum

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Matthias SchefflerDirector of NOMAD Laboratory at FHI of Max-Planck-GesellschaftEmail verificata su fhi-berlin.mpg.de
David B. MitziDuke UniversityEmail verificata su duke.edu
Karsten ReuterDirector at Fritz-Haber-Institut der MPGEmail verificata su fhi-berlin.mpg.de
RUYI SONGStanford University, Stanford Institute for Materials and Energy SciencesEmail verificata su stanford.edu
Xinguo RenInstitute of Physics, Chinese Academy of SciencesEmail verificata su ustc.edu.cn
Svenja M. JankeUniversity of WarwickEmail verificata su warwick.ac.uk
Alex ZungerUniversity of Colorado ,Boulder,Colorado.Renewable and Sustainable Energy InstituteEmail verificata su colorado.edu
Chi LiuPhd Student, Duke UniversityEmail verificata su duke.edu
Patrick RinkeProfessor at Technical University Munich, GermanyEmail verificata su tum.de
Yi YaoThe NOMAD Laboratory at the FHI of the Max-Planck-Gesellschaft and IRIS-Adlershof of the HumboldtEmail verificata su duke.edu
Wei YouUniversity of North Carolina at Chapel HillEmail verificata su unc.edu
Bettina LotschMax Planck Institute for Solid State Research and University of Munich (LMU)Email verificata su fkf.mpg.de
Mariana RossiHead of Independent Lise Meitner Group, MPI for Structure and Dynamics of Matter, HamburgEmail verificata su mpsd.mpg.de
Lydia NemecTechnische Universität MünchenEmail verificata su tum.de
Matthew C. BeardNational Renewable Energy LaboratoryEmail verificata su nrel.gov
Hermann LedererMax Planck Computing and Data FacilityEmail verificata su mytum.de
Victor Wen-zhe YuMaterials Science Division, Argonne National LaboratoryEmail verificata su anl.gov
Tong ZhuPhd Student of Mechanical Engineering & Materials Science, Duke UniversityEmail verificata su duke.edu
Alexandre TkatchenkoProfessor of Physics, University of Luxembourg; Visiting Professor, TU Berlin; APS Fellow; FRSCEmail verificata su uni.lu
Tiago BotariASMLEmail verificata su asml.com

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Volker Blum

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

Email verificata su duke.edu - Home page

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


Titolo Ordina per citazioni Ordina per anno Ordina per titolo	Citata da Citata da	Anno
< 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	2975	2009
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	1420*	2016
DFTB+, a software package for efficient approximate density functional theory based atomistic simulations B Hourahine, B Aradi, V Blum, F Bonafé, A Buccheri, C Camacho, ... The Journal of chemical physics 152 (12), 124101, 2020	909	2020
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	790	2012
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	700	2016
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	629	2009
Molecular engineering of organic–inorganic hybrid perovskites quantum wells Y Gao, E Shi, S Deng, SB Shiring, JM Snaider, C Liang, B Yuan, R Song, ... Nature chemistry 11 (12), 1151-1157, 2019	397	2019
Siesta: Recent developments and applications A García, N Papior, A Akhtar, E Artacho, V Blum, E Bosoni, P Brandimarte, ... The Journal of chemical physics 152 (20), 204108, 2020	386	2020
Evolutionary approach for determining first-principles hamiltonians GLW Hart, V Blum, MJ Walorski, A Zunger Nature materials 4 (5), 391-394, 2005	377	2005
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	350	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	325	2014
Organic-to-inorganic structural chirality transfer in a 2D hybrid perovskite and impact on Rashba-Dresselhaus spin-orbit coupling MK Jana, R Song, H Liu, DR Khanal, SM Janke, R Zhao, C Liu, ... Nature Communications 11 (1), 1-10, 2020	294	2020
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	287	2017
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	265	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	264	2011
Highly Distorted Chiral Two-Dimensional Tin Iodide Perovskites for Spin Polarized Charge Transport H Lu, C Xiao, R Song, T Li, AE Maughan, A Levin, R Brunecky, JJ Berry, ... Journal of the American Chemical Society 142 (30), 13030-13040, 2020	263	2020
Tunable Semiconductors: Control over Carrier States and Excitations in Layered Hybrid Organic-Inorganic Perovskites C Liu, W Huhn, KZ Du, A Vazquez-Mayagoitia, D Dirkes, W You, Y Kanai, ... Physical review letters 121 (14), 146401, 2018	236	2018
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	236	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—Condensed Matter and Materials Physics 72 (16), 165113, 2005	201	2005
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	193	2015

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