Vijay Gopal Chilkuri

Aix-Marseille Université — France

Materials Science · Physical Sciences

10h-index432citations37works1.42yr avg
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Research Topics

Crystallization and Solubility Studies(13), X-ray Diffraction in Crystallography(13), Advanced Chemical Physics Studies(8), Magnetism in coordination complexes(6), Spectroscopy and Quantum Chemical Studies(4)

Publications37 total

QMCkl: A Kernel Library for Quantum Monte Carlo Applications
ArXiv.org·2025Open Access
QMCkl: A Kernel Library for Quantum Monte Carlo Applications
arXiv (Cornell University)·2025Open Access
Treating Spin–Orbit Coupling and Spin–Spin Coupling in the Framework of the Iterative Configuration Expansion Selected CI
Journal of Chemical Theory and Computation·2025· 2 citedOpen Access
Approximations of density matrices in N-electron valence state second-order perturbation theory (NEVPT2). III. Large active space calculations with selected configuration interaction reference
The Journal of Chemical Physics·2025· 4 citedOpen Access
Spectroscopy of End-On Copper(II) Superoxido Complexes: A Wave Function-Based Analysis
Inorganic Chemistry·2024· 1 cited
TREXIO: A file format and library for quantum chemistry
The Journal of Chemical Physics·2023· 24 citedOpen Access
TREXIO: A File Format and Library for Quantum Chemistry
arXiv (Cornell University)·2023· 1 citedOpen Access
Diffusion Monte Carlo using domains in configuration space
Physical review. B./Physical review. B·2023Open Access
Spin-adapted selected configuration interaction in a determinant basis
Zenodo (CERN European Organization for Nuclear Research)·2021Open Access
Comparison of Many-Particle Representations for Selected Configuration Interaction: II. Numerical Benchmark Calculations
Journal of Chemical Theory and Computation·2021· 45 citedOpen Access
Comparison of many‐particle representations for selected‐CI I: A tree based approach
Journal of Computational Chemistry·2021· 63 citedOpen Access
Spin-adapted selected configuration interaction in a determinant basis
Advances in quantum chemistry·2021· 13 citedOpen Access
Sulfur vs. Selenium as Bridging Ligand in Di‐Iron Complexes: A Theoretical Analysis
European Journal of Inorganic Chemistry·2020· 19 citedOpen Access
Effective Hamiltonians in Chemistry
MPG.PuRe (Max Planck Society)·2020
CCDC 1879382: Experimental Crystal Structure Determination
The Cambridge Structural Database·2019Open Access
CCDC 1879379: Experimental Crystal Structure Determination
The Cambridge Structural Database·2019Open Access
CCDC 1879378: Experimental Crystal Structure Determination
The Cambridge Structural Database·2019Open Access
CCDC 1879381: Experimental Crystal Structure Determination
The Cambridge Structural Database·2019Open Access
CCDC 1879376: Experimental Crystal Structure Determination
The Cambridge Structural Database·2019Open Access
CCDC 1879377: Experimental Crystal Structure Determination
The Cambridge Structural Database·2019Open Access
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Frequent Co-authors

Frank Neese(17), Serena DeBeer(16), Eckhard Bill(13), Daniel E. DeRosha(9), Casey Van Stappen(9), Brandon Q. Mercado(9), Patrick L. Holland(9), Nathalie Guihéry(5), Anthony Scemama(5), Nicolas Suaud(4), Anselm W. Hahn(4), Benjamin E. Van Kuiken(4), Natalia Levin(4), Thomas Weyhermüller(4), Alessandro Nicolaou(4), Jun Miyawaki(4), Yoshihisa Harada(4), Evgeny Posenitskiy(4), Abdallah Ammar(4), Edgar Josué Landinez Borda(4)