Noa Marom

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Leeor KronikWeizmann Institute of ScienceVerified email at weizmann.ac.il
Alexandre TkatchenkoProfessor of Physics, University of Luxembourg; Visiting Professor, TU Berlin; APS Fellow; FRSCVerified email at uni.lu
Xiaopeng WangUniversity of Health and Rehabilitation SciencesVerified email at andrew.cmu.edu
Thomas KörzdörferUniversität PotsdamVerified email at uni-potsdam.de
James R. ChelikowskyW.A. "Tex" Moncrief, Jr. Chair of Computational Materials, University of TexasVerified email at utexas.edu
Xinguo RenInstitute of Physics, Chinese Academy of SciencesVerified email at ustc.edu.cn
Matthias SchefflerDirector of NOMAD Laboratory at FHI of Max-Planck-Gesellschaft and IRIS-Adlershof of HU BerlinVerified email at fhi-berlin.mpg.de
Bohdan SchatschneiderCalifornia State Polytechnic University, PomonaVerified email at cpp.edu
Oded HodTel Aviv UniversityVerified email at tau.ac.il
Patrick RinkeProfessor at Aalto University, HelsinkiVerified email at aalto.fi
Rithwik TomIntel CorporationVerified email at intel.com
Shuyang YangResearch ScientistVerified email at meta.com
Xingyu (Alfred) LiuBlizzard EntertainmentVerified email at andrew.cmu.edu
Derek DardzinskiPhD Student in Materials Science, Carnegie Mellon UniversityVerified email at andrew.cmu.edu
Maituo YuCarnegie Mellon UniversityVerified email at andrew.cmu.edu
Imanuel BierPhD and NSF GRFP Fellow, Carngie Mellon UniversityVerified email at andrew.cmu.edu
J V OrtizRuth W. Molette Professor, Department of Chemistry and Biochemistry, Auburn UniversityVerified email at auburn.edu
Saeed MoayedpourMachine learning Scientist at SanofiVerified email at sanofi.com
Farren CurtisIntel CorporationVerified email at andrew.cmu.edu
David SherrillRegents' Professor, Chemistry and Computational Science, Georgia TechVerified email at gatech.edu

Noa Marom

Associate Professor, Materials Science and Engineering, Carnegie Mellon University

Verified email at andrew.cmu.edu - Homepage

Computational Materials Science Condensed Matter Theory Computational Chemistry


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Report on the sixth blind test of organic crystal structure prediction methods AM Reilly, RI Cooper, CS Adjiman, S Bhattacharya, AD Boese, ... Acta Crystallographica Section B: Structural Science, Crystal Engineering …, 2016	551	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	339	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	312	2011
Benchmark of G W methods for azabenzenes N Marom, F Caruso, X Ren, OT Hofmann, T Körzdörfer, JR Chelikowsky, ... Physical Review B 86 (24), 245127, 2012	198	2012
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	192	2008
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	183	2013
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	165	2016
Strategy for finding a reliable starting point for G 0 W 0 demonstrated for molecules T Körzdörfer, N Marom Physical Review B 86 (4), 041110, 2012	133	2012
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	132	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	120	2009
Electronic structure of copper phthalocyanine from G 0 W 0 calculations N Marom, X Ren, JE Moussa, JR Chelikowsky, L Kronik Physical Review B 84 (19), 195143, 2011	119	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 79 (20), 201205, 2009	118	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	113	2009
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	107	2018
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	91	2016
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	86	2020
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	77	2016
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	71	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 86 (20), 205110, 2012	70	2012
Structure Selection Based on High Vertical Electron Affinity for Clusters N Marom, M Kim, JR Chelikowsky Physical Review Letters 108 (10), 106801, 2012	65	2012

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