Sandeep Sharma

27PUBLICATIONS
125CO-AUTHORS
Formal methods for softwareTheoretical quantum chemistryRadiation and matterStatistical mechanics in chemistryData structures and algorithms
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Publications (27)

|Sep 10, 2026
The Python simulations of chemistry framework: 10 years of an open-source quantum chemistry project.

|Sep 01, 2026
Size-extensive auxiliary-field quantum Monte Carlo with perturbative coupled cluster trial wavefunctions.

|Jul 01, 2026
Nuclear Gradients from Auxiliary-Field Quantum Monte Carlo and Their Applications in ML-Driven Geometry Optimization and Transition State Search.

|Jan 23, 2026
Excited states in auxiliary field quantum Monte Carlo.

Ankit Mahajan, Sandeep Sharma, Shiwei Zhang

|Feb 05, 2025
Beyond CCSD(T) Accuracy at Lower Scaling with Auxiliary Field Quantum Monte Carlo.

Ankit Mahajan, James H Thorpe, Jo S Kurian

|Dec 04, 2024
Fast and spectrally accurate construction of adaptive diagonal basis sets for electronic structure.

Michael Lindsey, Sandeep Sharma

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Frequent Collaborators

6 joint publications

Ankit Mahajan

3 joint publications

James E T Smith

3 joint publications

Jo S Kurian

3 joint publications

Xubo Wang