- X. Wang, T. Garcia, S. Monaco, B. Schatschneider, and N. Marom “Effect of Crystal Packing on the Excitonic Properties of Rubrene Polymorphs”, CrystEngComm 18, 7353 (2016).
- F. Curtis, X. Wang, and N. Marom “Effect of Packing Motifs on the Energy Ranking and Electronic Properties of Putative Crystal Structures of Tricyano-1,4-dithiino[c]-isothiazole”, Acta Crystallographica B 72, 562 (2016).
- A. M. Reilly et al. “Report on the Sixth Blind Test of Organic Crystal-Structure Prediction Methods”, Acta Crystallographica B, 72, 439 (2016).
- O. Dolgounitcheva, M. Díaz-Tinoco, V. G. Zakrzewski, R. M. Richard, N. Marom, C. D. Sherrill, and J. V. Ortiz “Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules IV: Electron-Propagator Methods”, J. Chem. Theory Comput. 12, 627 (2016)
- J. Knight, X. Wang, L. Gallandi, O. Dolgounitcheva, X. Ren, J. V. Ortiz, P. Rinke, T. Körzdörfer, and N. Marom “Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules III: A Benchmark of GW Methods”, J. Chem. Theory Comput. 12, 615 (2016)
- L. Gallandi, N. Marom, P. Rinke, and T. Körzdörfer “Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules II: Non-empirically Tuned Long-range Corrected Hybrid Functionals”, J. Chem. Theory Comput. 12, 605 (2016)
- R. M. Richard, M. S. Marshall, O. Dolgounitcheva, J. V. Ortiz, J. L. Brédas, N. Marom, and C. D. Sherrill “Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules I: Reference Data at the CCSD(T) Complete Basis Set Limit”, J. Chem. Theory Comput. 12, 595 (2016)
- X. Ren, N. Marom, F. Caruso, M. Scheffler, and P. Rinke “Beyond the GW Approximation: a Second-Order Screened Exchange Correction”, Phys. Rev. B 92, 081104(R) (2015).
- S. Bhattacharya, B. H. Sonin, C. J. Jumonville, L. M. Ghiringhelli, and N. Marom “Computational Design of Nanoclusters by Property-Based Genetic Algorithms: Tuning the Electronic Properties of (TiO2)n Clusters”, Phys. Rev. B 91, 241115(R) (2015).
- M. Kim, N. Marom, N. S. Bobbitt, and J. R. Chelikowsky “A First-Principles Study of the Electronic and Structural Properties of Sb and F doped SnO2 Nanocrystals”, J. Chem. Phys., 142 044704 (2015).
- N. S. Bobbitt, M. Kim, N. Sai, N. Marom, and J. R. Chelikowsky “First Principles Calculations for Size Trends in Ga- and Al- Doped Zinc Oxide Nanocrystals with Wurtzite and Zincblende Structures”, J. Chem. Phys., 141 094309 (2014).
- N. Marom, T. Körzdörfer, X. Ren, A. Tkatchenko, and J. R. Chelikowsky “Size Effects in the Interface Level Alignment Of Dye-Sensitized TiO2 Clusters”, J. Phys. Chem. Lett. 5 2395 (2014).
- T. Straasø, N. Marom, I. Solomonov, L. K. Barfod, M. Burghammer, R. Feidenhans’l, J. Als-Nielsen, and L. Leiserowitz “The Malaria Pigment Hemozoin Comprises at Most Four Different Isomer Units in Two Crystalline Models: Chiral as Based on a Biochemical Hypothesis, or Centrosymmetric Made of Enantiomorphous Segments”, Crystal Growth & Design, 14 1543 (2014).