مقاله‌های دارای تعهدات انتشار عمومی - Noa Maromبیشتر بدانید
جای دیگری دردسترس نیست: ۸
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
تعهدات: US National Science Foundation, US Department of Energy, German Research …
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
تعهدات: US National Science Foundation, US Department of Energy
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
تعهدات: US National Science Foundation, US Department of Energy
Effect of packing motifs on the energy ranking and electronic properties of putative crystal structures of tricyano-1, 4-dithiino [c]-isothiazole
F Curtis, X Wang, N Marom
Acta Crystallographica Section B: Structural Science, Crystal Engineering …, 2016
تعهدات: US Department of Energy
Performance of dispersion-inclusive density functional theory methods for energetic materials
D O’Connor, I Bier, YT Hsieh, N Marom
Journal of Chemical Theory and Computation 18 (7), 4456-4471, 2022
تعهدات: US National Science Foundation, US Department of Energy, US Department of …
Best practices for first-principles simulations of epitaxial inorganic interfaces
D Dardzinski, M Yu, S Moayedpour, N Marom
Journal of Physics: Condensed Matter 34 (23), 233002, 2022
تعهدات: US National Science Foundation, US Department of Energy
Machine learned model for solid form volume estimation based on packing-accessible surface and molecular topological fragments
I Bier, N Marom
The Journal of Physical Chemistry A 124 (49), 10330-10345, 2020
تعهدات: US National Science Foundation, US Department of Defense
Inverted lowest singlet and triplet excitation energy ordering of graphitic carbon nitride flakes
X Wang, A Wang, M Zhao, N Marom
The Journal of Physical Chemistry Letters 14 (49), 10910-10919, 2023
تعهدات: US National Science Foundation
جای دیگری دردسترس است: ۴۳
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
تعهدات: US National Science Foundation, US Department of Energy, German Research …
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
تعهدات: US National Science Foundation, US Department of Energy, Academy of Finland
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
تعهدات: US National Science Foundation, US Department of Energy
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
تعهدات: US National Science Foundation, US Department of Energy
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
تعهدات: National Natural Science Foundation of China, Academy of Finland
An energetics perspective on why there are so few triplet–triplet annihilation emitters
X Wang, R Tom, X Liu, DN Congreve, N Marom
Journal of Materials Chemistry C 8 (31), 10816-10824, 2020
تعهدات: US National Science Foundation, US Department of Energy
Accurate description of the electronic structure of organic semiconductors by GW methods
N Marom
Journal of Physics: Condensed Matter 29 (10), 103003, 2017
تعهدات: US National Science Foundation
Computational design of nanoclusters by property-based genetic algorithms: Tuning the electronic properties of (TiO2)n clusters
S Bhattacharya, BH Sonin, CJ Jumonville, LM Ghiringhelli, N Marom
Physical Review B 91, 241115, 2015
تعهدات: US Department of Energy
Phenylated acene derivatives as candidates for intermolecular singlet fission
X Wang, X Liu, R Tom, C Cook, B Schatschneider, N Marom
The Journal of Physical Chemistry C 123 (10), 5890-5899, 2019
تعهدات: US National Science Foundation, US Department of Energy, US Department of …
Genarris 2.0: A random structure generator for molecular crystals
R Tom, T Rose, I Bier, H O’Brien, Á Vázquez-Mayagoitia, N Marom
Computer Physics Communications 250, 107170, 2020
تعهدات: US National Science Foundation, US Department of Energy
On the possibility of singlet fission in crystalline quaterrylene
X Wang, X Liu, C Cook, B Schatschneider, N Marom
The Journal of chemical physics 148 (18), 2018
تعهدات: US National Science Foundation, US Department of Energy
Evolutionary niching in the GAtor genetic algorithm for molecular crystal structure prediction
F Curtis, T Rose, N Marom
Faraday discussions 211, 61-77, 2018
تعهدات: US National Science Foundation, US Department of Energy
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