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).

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).

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