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Noa Marom
Noa Marom
Associate Professor, Materials Science and Engineering, Carnegie Mellon University
在 andrew.cmu.edu 的电子邮件经过验证 - 首页
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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
5982016
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
3562010
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
3182011
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
2112012
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
1942013
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
1932008
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
1892016
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
1442012
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
1352010
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
1332009
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
1262011
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
1222018
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
1192009
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
1162009
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
1122020
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
982016
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
912016
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
762016
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
732015
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
722012
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