- I. Bier, D. O’Connor, Y. T. Hsieh, W. Wen, N. Marom “Crystal Structure Prediction of Energetic Materials and a Twisted Arene with Genarris and GAtor”, CrystEngComm, DOI: https://doi.org/10.1039/D1CE00745A (2021).
- S. Yang, D. Dardzinski, A. Hwang, D. I. Pikulin, G. W. Winkler, N. Marom “First Principles Feasibility Assessment of a Topological Insulator at the InAs/GaSb Interface”, Phys. Rev. Mater. 5, 084204 (2021).
- S. Moayedpour, D. Dardzinski, S. Yang, A. Hwang, N. Marom “Structure Prediction of Epitaxial Inorganic Interfaces by Lattice and Surface Matching with Ogre”, J. Chem. Phys., 155, 034111 (2021).
- C. L. Hall, I. Andrusenko, J. Potticary, S. Gao, X. Liu, W. Schmidt, N. Marom, M. Gemmi, S. R. Hall “3D Electron Diffraction Structure Determination of Terrylene, a Promising Candidate for Intermolecular Singlet Fission”, ChemPhysChem, 22, 1631 (2021).
- Yu, S. Moayedpour, S. Yang, D. Dardzinski, C. Wu, V. S. Pribiag, N. Marom “Dependence of the Electronic Structure of the EuS/InAs Interface on the Bonding Configuration”, Phys. Rev. Mater. 5, 064606 (2021).
- Bier and N. Marom “A Machine Learned Model for Solid Form Volume Estimation Based on Packing-Accessible Surface and Molecular Topological Fragments”, J. Phys. Chem. A 124, 10330 (2020).
- X. Liu, R. Tom, S. Gao, and N. Marom “Assessing Zethrene Derivatives as Singlet Fission Candidates Based on Multiple Descriptors”, J. Phys. Chem. C 124, 26134 (2020).
- M. Yu, S. Yang, C. Wu, and N. Marom “Machine learning the Hubbard U parameter in DFT+U using Bayesian optimization”, npj Computational Materials 6, 180 (2020).
- N. P. Zaitseva, A. M. Glenn, M. L. Carman, A. N. Mabe, S. A. Payne, N. Marom, X. Wang, “Multiple dye interactions in plastic scintillators: Effects on Pulse Shape Discrimination” Nuclear Instruments and Methods in Physics Research A 978, 164455 (2020)
- S. Yang, I. Bier, W. Wen, J. Zhan, S. Moayedpour, and N. Marom “Ogre: A Python Package for Molecular Crystal Surface Generation with Applications to Surface Energy and Crystal Habit Prediction” J. Chem. Phys. 152, 244122 (2020).
- X. Wang, R. Tom, X. Liu, D. Congreve, and N. Marom “An energetics perspective on why there are so few triplet-triplet annihilation emitters”, J. Mater. Chem. C 8, 10816 (2020).
- S. Yang, C. Wu, and N. Marom “Topological Properties of SnSe/EuS and SnTe/CaTe Heterostructures”, Phys. Rev. Materials, 4, 034203 (2020).
- X. Liu, R. Tom, X. Wang, C. J. Cook, B. Schatschneider, and N. Marom “Pyrene-Stabilized Acenes as Intermolecular Singlet Fission Candidates: Importance of Exciton Wave-Function Convergence”, J. Phys.: Condens. Matter 32, 184001 (2020).
- R. Tom, T. Rose, I. Bier, H. O’Brien, A. Vazquez-Mayagoitia, and N. Marom “Genarris 2.0: A Random Structure Generator for Molecular Crystals”, Comput. Phys. Commun. 250, 107170 (2020).
