Publications of Vivekanand Gobre

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

Raja, I.A., V. Gobre, R.V. Pinjari and S.P. Gejji: 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).

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

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

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

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