V
Vivekanand V. Gobre
Researcher at Goa University
Publications - 26
Citations - 2094
Vivekanand V. Gobre is an academic researcher from Goa University. The author has contributed to research in topics: Hydrogen bond & Medicine. The author has an hindex of 12, co-authored 22 publications receiving 1802 citations. Previous affiliations of Vivekanand V. Gobre include Savitribai Phule Pune University & Fritz Haber Institute of the Max Planck Society.
Papers
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Journal ArticleDOI
Machine Learning of Molecular Electronic Properties in Chemical Compound Space
Grégoire Montavon,Matthias Rupp,Vivekanand V. Gobre,Álvaro Vázquez-Mayagoitia,Katja Hansen,Alexandre Tkatchenko,Alexandre Tkatchenko,Klaus-Robert Müller,Klaus-Robert Müller,O. Anatole von Lilienfeld +9 more
TL;DR: In this article, a deep multi-task artificial neural network is used to predict multiple electronic ground and excited-state properties, such as atomization energy, polarizability, frontier orbital eigenvalues, ionization potential, electron affinity and excitation energies.
Journal ArticleDOI
Machine Learning of Molecular Electronic Properties in Chemical Compound Space
Grégoire Montavon,Matthias Rupp,Vivekanand V. Gobre,Álvaro Vázquez-Mayagoitia,Katja Hansen,Alexandre Tkatchenko,Alexandre Tkatchenko,Klaus-Robert Müller,Klaus-Robert Müller,O. Anatole von Lilienfeld +9 more
TL;DR: In this paper, a deep multi-task artificial neural network is used to predict multiple electronic ground-and excited-state properties, such as atomization energy, polarizability, frontier orbital eigenvalues, ionization potential, electron affinity, and excitation energies.
Journal ArticleDOI
Dispersion Interactions with Density-Functional Theory: Benchmarking Semiempirical and Interatomic Pairwise Corrected Density Functionals
Noa Marom,Alexandre Tkatchenko,Mariana Rossi,Vivekanand V. Gobre,Oded Hod,Matthias Scheffler,Leeor Kronik,Leeor Kronik +7 more
TL;DR: It is found that the semiempirical kinetic-energy-density dependence introduced in the M06 functionals mimics some of the nonlocal correlation needed to describe dispersion, however, long-range contributions are still missing.
Journal ArticleDOI
Scaling Laws for van der Waals Interactions in Nanostructured Materials
TL;DR: An efficient microscopic method is utilized to demonstrate that van der Waals interactions in nanomaterials act at distances greater than typically assumed, and can be characterized by different scaling laws depending on the dimensionality and size of the system.
Journal ArticleDOI
Synthesis, Electronic Structure, DNA and Protein Binding, DNA Cleavage, and Anticancer Activity of Fluorophore-Labeled Copper(II) Complexes
Satish S. Bhat,Anupa A. Kumbhar,Hussain Heptullah,Ayesha Khan,Vivekanand V. Gobre,Shridhar P. Gejji,Vedavati G. Puranik +6 more
TL;DR: The interaction of complexes with calf-thymus DNA (CT DNA) has been explored by using absorption, emission, thermal denaturation, and viscosity studies, and the intercalating mode of DNA binding has been proposed.