Ankit Mahajan

13PUBLICATIONS
116CO-AUTHORS
Formal methods for softwareTheoretical quantum chemistryRadiation and matterElectrostatics and electrodynamicsElectronic and magnetic properties of condensed matter; superconductivity
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Publications (13)

|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.

|Mar 03, 2026
Evaluating Multiconfigurational Trials for Accurate Phaseless Auxiliary-Field Quantum Monte Carlo on 3d Transition Metal Complexes.

Hung T Vuong, Ankit Mahajan, John L Weber

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

Ankit Mahajan, Sandeep Sharma, Shiwei Zhang

|Sep 15, 2025
Mixed quantum-classical methods for polaron spectral functions.

Haimi Nguyen, Arkajit Mandal, Ankit Mahajan

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Frequent Collaborators

7 joint publications

David R Reichman

6 joint publications

Sandeep Sharma

3 joint publications

Jo S Kurian

2 joint publications

Zhi-Hao Cui