Noa Marom

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Leeor KronikWeizmann Institute of ScienceVerifisert e-postadresse på weizmann.ac.il
Xiaopeng WangUniversity of Health and Rehabilitation SciencesVerifisert e-postadresse på andrew.cmu.edu
Alexandre TkatchenkoProfessor of Physics, University of Luxembourg; Visiting Professor, TU Berlin; APS Fellow; FRSCVerifisert e-postadresse på uni.lu
Thomas KörzdörferUniversität PotsdamVerifisert e-postadresse på uni-potsdam.de
James R. ChelikowskyW.A. "Tex" Moncrief, Jr. Chair of Computational Materials, University of TexasVerifisert e-postadresse på utexas.edu
Xinguo RenInstitute of Physics, Chinese Academy of SciencesVerifisert e-postadresse på ustc.edu.cn
Derek DardzinskiPhD Student in Materials Science, Carnegie Mellon UniversityVerifisert e-postadresse på andrew.cmu.edu
Rithwik TomIntel CorporationVerifisert e-postadresse på intel.com
Bohdan SchatschneiderCalifornia State Polytechnic University, PomonaVerifisert e-postadresse på cpp.edu
Matthias SchefflerDirector of NOMAD Laboratory at FHI of Max-Planck-GesellschaftVerifisert e-postadresse på fhi-berlin.mpg.de
Xingyu (Alfred) LiuMetaVerifisert e-postadresse på meta.com
Maituo YuMachine Learning Engineer, Intel CorporationVerifisert e-postadresse på intel.com
Shuyang YangResearch ScientistVerifisert e-postadresse på meta.com
Siyu GaoPhD candidate of Materials Science and Engineering, Carnegie Mellon UniversityVerifisert e-postadresse på andrew.cmu.edu
Patrick RinkeProfessor at Technical University Munich, GermanyVerifisert e-postadresse på tum.de
Oded HodTel Aviv UniversityVerifisert e-postadresse på tau.ac.il
Imanuel BierSchrodingerVerifisert e-postadresse på schrodinger.com
J V OrtizRuth W. Molette Professor, Department of Chemistry and Biochemistry, Auburn UniversityVerifisert e-postadresse på auburn.edu
David SherrillRegents' Professor, Chemistry and Computational Science, Georgia TechVerifisert e-postadresse på gatech.edu
Saeed MoayedpourApplied Scientist at AmazonVerifisert e-postadresse på amazon.com

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Noa Marom

Associate Professor, Materials Science and Engineering, Carnegie Mellon University

Verifisert e-postadresse på andrew.cmu.edu - Startside

Computational Materials Science Condensed Matter Theory Computational Chemistry


Tittel Sorter etter sitater Sorter etter år Sorter etter tittel	Sitert av Sitert av	År
Report on the sixth blind test of organic crystal structure prediction methods AM Reilly, RI Cooper, CS Adjiman, S Bhattacharya, AD Boese, ... Structural Science 72 (4), 439-459, 2016	642	2016
Stacking and registry effects in layered materials: the case of hexagonal boron nitride N Marom, J Bernstein, J Garel, A Tkatchenko, E Joselevich, L Kronik, ... Physical review letters 105 (4), 046801, 2010	372	2010
Dispersion interactions with density-functional theory: Benchmarking semi-empirical and inter-atomic pair-wise corrected density functionals N Marom, A Tkatchenko, M Rossi, VV Gobre, O Hod, M Scheffler, L Kronik Journal of Chemical Theory and Computation 7, 3944, 2011	332	2011
Benchmark of methods for azabenzenes N Marom, F Caruso, X Ren, OT Hofmann, T Körzdörfer, JR Chelikowsky, ... Physical Review B—Condensed Matter and Materials Physics 86 (24), 245127, 2012	223	2012
Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules III: A Benchmark of GW Methods JW Knight, X Wang, L Gallandi, O Dolgounitcheva, X Ren, JV Ortiz, ... Journal of chemical theory and computation 12 (2), 615-626, 2016	205	2016
Many‐body dispersion interactions in molecular crystal polymorphism N Marom, RA DiStasio Jr, V Atalla, S Levchenko, AM Reilly, ... Angewandte Chemie International Edition 52 (26), 6629-6632, 2013	199	2013
Electronic structure of copper phthalocyanine: A comparative density functional theory study N Marom, O Hod, GE Scuseria, L Kronik The Journal of chemical physics 128 (16), 2008	197	2008
Strategy for finding a reliable starting point for demonstrated for molecules T Körzdörfer, N Marom Physical Review B—Condensed Matter and Materials Physics 86 (4), 041110, 2012	149	2012
Machine learning the Hubbard U parameter in DFT+U using Bayesian optimization M Yu, S Yang, C Wu, N Marom npj computational materials 6 (1), 180, 2020	139	2020
GAtor: A first-principles genetic algorithm for molecular crystal structure prediction F Curtis, X Li, T Rose, A Vazquez-Mayagoitia, S Bhattacharya, ... Journal of chemical theory and computation 14 (4), 2246-2264, 2018	136	2018
Describing both dispersion interactions and electronic structure using density functional theory: The case of Metal− Phthalocyanine dimers N Marom, A Tkatchenko, M Scheffler, L Kronik Journal of Chemical Theory and Computation 6 (1), 81-90, 2010	136	2010
Density functional theory of transition metal phthalocyanines, II: áelectronic structure of MnPc and FePc—symmetry and symmetry breaking N Marom, L Kronik Applied Physics A 95, 165-172, 2009	133	2009
Electronic structure of copper phthalocyanine from calculations N Marom, X Ren, JE Moussa, JR Chelikowsky, L Kronik Physical Review B—Condensed Matter and Materials Physics 84 (19), 195143, 2011	129	2011
When to trust photoelectron spectra from Kohn-Sham eigenvalues: The case of organic semiconductors T Körzdörfer, S Kümmel, N Marom, L Kronik Physical Review B—Condensed Matter and Materials Physics 79 (20), 201205, 2009	121	2009
Density functional theory of transition metal phthalocyanines, I: Electronic structure of NiPc and CoPc—self-interaction effects N Marom, L Kronik Applied Physics A 95, 159-163, 2009	116	2009
Accurate ionization potentials and electron affinities of acceptor molecules II: non-empirically tuned long-range corrected hybrid functionals L Gallandi, N Marom, P Rinke, T Körzdörfer Journal of chemical theory and computation 12 (2), 605-614, 2016	104	2016
Accurate ionization potentials and electron affinities of acceptor molecules I. Reference data at the CCSD (T) complete basis set limit RM Richard, MS Marshall, O Dolgounitcheva, JV Ortiz, JL Bredas, ... Journal of chemical theory and computation 12 (2), 595-604, 2016	96	2016
Beyond the GW approximation: A second-order screened exchange correction X Ren, N Marom, F Caruso, M Scheffler, P Rinke Physical Review B 92, 081104, 2015	85	2015
Effect of crystal packing on the excitonic properties of rubrene polymorphs X Wang, T Garcia, S Monaco, B Schatschneider, N Marom Crystal Engineering Communications 18, 7353, 2016	78	2016
Assessment of the performance of tuned range-separated hybrid density functionals in predicting accurate quasiparticle spectra T Körzdörfer, RM Parrish, N Marom, JS Sears, CD Sherrill, JL Brédas Physical Review B—Condensed Matter and Materials Physics 86 (20), 205110, 2012	78	2012

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