Segui
Chandan Kumar
Chandan Kumar
BMW Group
Email verificata su bmwgroup.com
Titolo
Citata da
Citata da
Anno
The Relation Between Ring Currents and Hydrogenation Enthalpies for Assessing the Degree of Aromaticity
C Kumar, H Fliegl, D Sundholm
J. Phys. Chem. A 121 (38), 7282–7289, 2017
432017
Accelerating Kohn‐Sham response theory using density fitting and the auxiliary‐density‐matrix method
C Kumar, H Fliegl, F Jensen, AM Teale, S Reine, T Kjærgaard
International Journal of Quantum Chemistry 118 (16), 2018
182018
Nuclei-selected atomic-orbital response-theory formulation for the calculation of NMR shielding tensors using density-fitting
C Kumar, T Kjærgaard, T Helgaker, H Fliegl
The Journal of Chemical Physics 145, 234108, 2016
92016
Implementation of nuclear velocity perturbation and magnetic field perturbation theory in CP2K and their application to vibrational circular dichroism
E Ditler, T Zimmermann, C Kumar, S Luber
Journal of Chemical Theory and Computation 18 (4), 2448-2461, 2022
82022
Analytic calculation and analysis of atomic polar tensors for molecules and materials using the Gaussian and plane waves approach
E Ditler, C Kumar, S Luber
The Journal of Chemical Physics 154, 104121, 2021
82021
Classical and quantum trial wave functions in auxiliary-field quantum Monte Carlo applied to oxygen allotropes and a CuBr2 model system
M Amsler, P Deglmann, M Degroote, MP Kaicher, M Kiser, M Kühn, ...
The Journal of Chemical Physics 159 (4), 2023
5*2023
Robust ΔSCF calculations with direct energy functional minimization methods and STEP for molecules and materials
C Kumar, S Luber
The Journal of Chemical Physics 156, 154104, 2022
52022
Vibrational circular dichroism spectra of natural products by means of the nuclear velocity perturbation theory
E Ditler, C Kumar, S Luber
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 298, 122769, 2023
22023
Applicability of Quantum Computing to Oxygen Reduction Reaction Simulations
C Di Paola, E Plekhanov, M Krompiec, C Kumar, F Du, D Weber, ...
arXiv preprint arXiv:2307.15823, 2023
12023
Evaluating Ground State Energies of Chemical Systems with Low-Depth Quantum Circuits and High Accuracy
S Sun, C Kumar, K Shen, E Shishenina, CB Mendl
arXiv preprint arXiv:2402.13960, 2024
2024
Classical and quantum cost of measurement strategies for quantum-enhanced auxiliary field Quantum Monte Carlo
M Kiser, A Schroeder, GLR Anselmetti, C Kumar, N Moll, M Streif, ...
New Journal of Physics, 2023
2023
Il sistema al momento non può eseguire l'operazione. Riprova più tardi.
Articoli 1–11