Publications of Vivekanand Gobre

DiStasio, R. A.; Gobre, V.; Tkatchenko, A.: Many-body van der Waals interactions in molecules and condensed matter. Journal of Physics: Condensed Matter 26 (21), 213202 (2014)

Raja, I. A.; Gobre, V.; Pinjari, R. V.; Gejji, S. P.: Encapsulation of alkyl and aryl derivatives of quaternary ammonium cations within cucurbit[n]uril (n = 6,7) and their inverted diastereomers: density functional investigations. Journal of Molecular Modeling 20 (3), 2138 (2014)

Montavon, G.; Rupp, M.; Gobre, V.; Vazquez-Mayagoitia, A.; Hansen, K.; Tkatchenko, A.; Müller, K.-R.; von Lilienfeld, O. A.: Machine Learning of Molecular Electronic Properties in Chemical Compound Space. New Journal of Physics 15 (9), 095003 (2013)

Gobre, V.; Tkatchenko, A.: Scaling Laws for van der Waals Interactions in Nanostructured Materials. Nature Communications 4, 2341 (2013)

Marom, N.; Tkatchenko, A.; Rossi, M.; Gobre, V.; Hod, O.; Scheffler, M.; Kronik, L.: Dispersion Interactions with Density-Functional Theory: Benchmarking Semiempirical and Interatomic Pairwise Corrected Density Functionals. Journal of Chemical Theory and Computation 7 (12), pp. 3944 - 3951 (2011)

Gobre, V.: Efficient modelling of linear electronic polarization in materials using atomic response functions. Dissertation, Technische Universität, Berlin (2016)