2017 – 2019

37. F. Curtis, T. Rose, and N. Marom “Evolutionary Niching in the GAtor Genetic Algorithm for Molecular Crystal Structure Prediction”, Faraday Discuss. DOI: 10.1039/C8FD00067K (2018).

36. F. Curtis, X. Li, T. Rose, A. Vazquez-Mayagoitia, S. Bhattacharya, L. M. Ghiringhelli, and N. Marom “GAtor: A First-Principles Genetic Algorithm for Molecular Crystal Structure Prediction”, J. Chem. Theory Comput., DOI: 10.1021/acs.jctc.7b01152 (2018).

35. X. Li, F. Curtis, T. Rose, C. Schober, A. Vazquez-Mayagoitia, K. Reuter, H. Oberhofer, and N. Marom “Genarris: Random Generation of Molecular Crystal Structures and Fast Screening with a Harris Approximation”, J. Chem. Phys., 148, 241701 (2018).

34. A. Thierbach, C. Neiss, L. Gallandi, N. Marom, T. Körzdörfer, and A. Görling “Accurate valence ionization energies from Kohn-Sham eigenvalues with the help of potential adjustors”, J. Chem. Theory Comput. 13, 4726 (2017).

33. N. Marom “Accurate Description of the Electronic Structure of Organic Semiconductors by GW Methods”, J. Phys.: Condens. Matter 29, 103003 (2017).