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The Journal of Physical Chemistry. A|April 5, 2019
Symmetry-Projected Jastrow Mean-Field Wave Function in Variational Monte CarloAnkit Mahajan, Sandeep SharmaThe Journal of Chemical Physics|November 21, 2020
Efficient local energy evaluation for multi-Slater wave functions in orbital space quantum Monte CarloAnkit Mahajan, Sandeep SharmaJournal of Chemical Theory and Computation|July 7, 2021
Taming the Sign Problem in Auxiliary-Field Quantum Monte Carlo Using Accurate Wave FunctionsAnkit Mahajan, Sandeep SharmaThe Journal of Chemical Physics|May 7, 2022
Selected configuration interaction wave functions in phaseless auxiliary field quantum Monte CarloAnkit Mahajan, Joonho Lee, Sandeep SharmaThe Journal of Chemical Physics|January 17, 2020
An accelerated linear method for optimizing non-linear wavefunctions in variational Monte CarloIliya Sabzevari, Ankit Mahajan, Sandeep SharmaPhysical Review Letters|May 15, 2026
Fokker-Planck Equation Governing the Distribution of Walkers in Auxiliary-Field Quantum Monte CarloAlfred Li, Ankit Mahajan, Sandeep SharmaThe Journal of Chemical Physics|November 3, 2020
Efficient multireference perturbation theory without high-order reduced density matricesNick S Blunt, Ankit Mahajan, Sandeep SharmaJournal of Chemical Theory and Computation|July 1, 2026
Nuclear Gradients from Auxiliary-Field Quantum Monte Carlo and Their Applications in ML-Driven Geometry Optimization and Transition State SearchJo S Kurian, Ankit Mahajan, Sandeep SharmaThe Journal of Chemical Physics|December 12, 2019
Multireference configuration interaction and perturbation theory without reduced density matricesAnkit Mahajan, Nick S Blunt, Iliya Sabzevari, et al.The Journal of Chemical Physics|January 23, 2026
Excited states in auxiliary field quantum Monte CarloAnkit Mahajan, Sandeep Sharma, Shiwei Zhang, et al.Pageof 44