| 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 | 624 | 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 | 369 | 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 | 326 | 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 | 220 | 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 | 201 | 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 | 198 | 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 | 195 | 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 | 146 | 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 | 137 | 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 |
| 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 | 130 | 2018 |
| 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 |
| 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 | 125 | 2020 |
| 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 | 101 | 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 | 93 | 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 | 79 | 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 | 76 | 2012 |
Leeor KronikWeizmann Institute of ScienceVerified email at weizmann.ac.il
