Vijay Gopal Chilkuri

9PUBLICATIONS
30CO-AUTHORS
Numerical computation and mathematical softwareIntegrable systems (classical and quantum)Theoretical quantum chemistryMain group metal chemistryData structures and algorithms
Featured researcher

Get your video featured.

JoVEPublish with JoVE
Journal

Publications (9)

|Mar 18, 2026
QMCkl: A kernel library for quantum Monte Carlo applications.

Emiel Slootman, Vijay Gopal Chilkuri, Aurelien Delval

|Jun 23, 2025
Treating Spin-Orbit Coupling and Spin-Spin Coupling in the Framework of the Iterative Configuration Expansion Selected CI.

Lucas Lang, Vijay Gopal Chilkuri, Frank Neese

|Apr 11, 2025
Approximations of density matrices in N-electron valence state second-order perturbation theory (NEVPT2). III. Large active space calculations with selected configuration interaction reference.

Yang Guo, Kantharuban Sivalingam, Vijay Gopal Chilkuri

|Apr 25, 2024
Spectroscopy of End-On Copper(II) Superoxido Complexes: A Wave Function-Based Analysis.

Léo Chaussy, Vijay Gopal Chilkuri, Stéphane Humbel

|May 05, 2023
TREXIO: A file format and library for quantum chemistry.

Evgeny Posenitskiy, Vijay Gopal Chilkuri, Abdallah Ammar

|Apr 22, 2021
Comparison of Many-Particle Representations for Selected Configuration Interaction: II. Numerical Benchmark Calculations.

Vijay Gopal Chilkuri, Frank Neese

Pageof 2

Frequent Collaborators

4 joint publications

Frank Neese

2 joint publications

Serena DeBeer

2 joint publications

Evgeny Posenitskiy

2 joint publications

Abdallah Ammar