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    • Anshuman Kumar

    7 results in Authors: Anshuman Kumar

    Category: Theoretical and Computational Chemistry
    ,
    Working Paper
    , Title:

    NIC-CAGE: An Open-Source Software Package for Predicting Optimal Control Fields in Photo-Excited Chemical Systems

    , Authors: Akber Raza, Chengkuan Hong, Xian Wang, Anshuman Kumar, Christian Shelton, Bryan Wong
    860
    Downloads
    Category: Physical Chemistry
    ,
    Working Paper
    , Title:

    Harnessing Deep Neural Networks to Solve Inverse Problems in Quantum Dynamics: Machine-Learned Predictions of Time-Dependent Optimal Control Fields

    , Authors: Xian Wang, Anshuman Kumar, Christian Shelton, Bryan Wong
    331
    Downloads
    Category: Biological and Medicinal Chemistry
    ,
    Working Paper
    , Title:

    A New Interpretation of the Structure and Solvent Dependence of the Far UV Circular Dichroism Spectrum of Short Oligopeptides

    , Authors: Anshuman Kumar, Reinhard Schweitzer-Stenner, Bryan Wong
    356
    Downloads
    Category: Materials Science
    ,
    Working Paper
    , Title:

    Covalent Atomic Bridges Enable Unidirectional Enhancement of Electronic Transport in Aligned Carbon Nanotubes

    , Authors: Mingguang Chen, Wangxiang Li, Anshuman Kumar, Guanghui Li, Mikhail Itkis, Bryan Wong, elena bekyarova
    455
    Downloads
    Category: Physical Chemistry
    ,
    Working Paper
    , Title:

    Water-Mediated Electronic Structure of Oligopeptides Probed by Their UV Circular Dichroism, Absorption Spectra, and Time-Dependent DFT Calculations

    , Authors: Anshuman Kumar, Siobhan E. Toal, David DiGuiseppi, Reinhard Schweitzer-Stenner, Bryan Wong
    495
    Downloads
    Category: Biological and Medicinal Chemistry
    ,
    Working Paper
    , Title:

    Identification of Drugs Targeting Multiple Viral and Human Proteins Using Computational Analysis for Repurposing Against COVID-19

    , Authors: Sugandh Kumar, Pratima Kumari, Geetanjali Agnihotri, Preethy VijayKumar, Shaheerah Khan, Gulam Hussain Syed, Anshuman Dixit
    1,201
    Downloads
    1
    Citations
    Category: Theoretical and Computational Chemistry
    ,
    Working Paper
    , Title:

    GPU-Enhanced DFTB Metadynamics for Efficiently Predicting Free Energies of Biochemical Systems

    , Authors: Anshuman Kumar, Pablo Arantes, Aakash Saha, Giulia Palermo, Bryan Wong
    92
    Downloads