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Journal of Chemical Theory and Computation
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July 1, 2026
Nuclear Gradients from Auxiliary-Field Quantum Monte Carlo and Their Applications in ML-Driven Geometry Optimization and Transition State Search
Jo S Kurian, Ankit Mahajan, Sandeep Sharma
Chemical Communications (Cambridge, England)
|
October 21, 2020
Selective functionalization at N<sup>2</sup>-position of guanine in oligonucleotides via reductive amination
Bapurao A Bhoge, Purnima Mala, Jo S Kurian, et al.
The Journal of Chemical Physics
|
November 8, 2023
Response properties in phaseless auxiliary field quantum Monte Carlo
Ankit Mahajan, Jo S Kurian, Joonho Lee, et al.
Journal of Chemical Theory and Computation
|
December 19, 2023
Toward Linear Scaling Auxiliary-Field Quantum Monte Carlo with Local Natural Orbitals
Jo S Kurian, Hong-Zhou Ye, Ankit Mahajan, et al.
Journal of Chemical Theory and Computation
|
February 5, 2025
Beyond CCSD(T) Accuracy at Lower Scaling with Auxiliary Field Quantum Monte Carlo
Ankit Mahajan, James H Thorpe, Jo S Kurian, et al.
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Search research articles
Search
Showing results (1-10 of 5) with videos related to
Sort By:
Page
of 1
Journal 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 Search
Jo S Kurian, Ankit Mahajan, Sandeep Sharma
Chemical Communications (Cambridge, England)
|
October 21, 2020
Selective functionalization at N<sup>2</sup>-position of guanine in oligonucleotides via reductive amination
Bapurao A Bhoge, Purnima Mala, Jo S Kurian, et al.
The Journal of Chemical Physics
|
November 8, 2023
Response properties in phaseless auxiliary field quantum Monte Carlo
Ankit Mahajan, Jo S Kurian, Joonho Lee, et al.
Journal of Chemical Theory and Computation
|
December 19, 2023
Toward Linear Scaling Auxiliary-Field Quantum Monte Carlo with Local Natural Orbitals
Jo S Kurian, Hong-Zhou Ye, Ankit Mahajan, et al.
Journal of Chemical Theory and Computation
|
February 5, 2025
Beyond CCSD(T) Accuracy at Lower Scaling with Auxiliary Field Quantum Monte Carlo
Ankit Mahajan, James H Thorpe, Jo S Kurian, et al.
Page
of 1