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The Journal of Chemical Physics
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October 2, 2021
An approximate coupled cluster theory via nonlinear dynamics and synergetics: The adiabatic decoupling conditions
Valay Agarawal, Chayan Patra, Rahul Maitra
The Journal of Chemical Physics
|
September 3, 2020
Stability analysis of a double similarity transformed coupled cluster theory
Valay Agarawal, Anish Chakraborty, Rahul Maitra
The Journal of Chemical Physics
|
January 30, 2021
Accelerating coupled cluster calculations with nonlinear dynamics and supervised machine learning
Valay Agarawal, Samrendra Roy, Anish Chakraborty, et al.
Journal of Chemical Theory and Computation
|
June 16, 2025
Localized Active Space State Interaction Singles
Matthew R Hermes, Bhavnesh Jangid, Valay Agarawal, et al.
Journal of Chemical Theory and Computation
|
May 24, 2024
Automatic State Interaction with Large Localized Active Spaces for Multimetallic Systems
Valay Agarawal, Daniel S King, Matthew R Hermes, et al.
The Journal of Physical Chemistry Letters
|
August 8, 2022
Periodic Density Matrix Embedding for CO Adsorption on the MgO(001) Surface
Abhishek Mitra, Matthew R Hermes, Minsik Cho, et al.
Angewandte Chemie (International Ed. in English)
|
March 1, 2021
Total Synthesis of the Meroterpenoid Manginoid A as Fueled by a Challenging Pinacol Coupling and Bicycle-forming Etherification
Yu-An Zhang, Amanda Milkovits, Valay Agarawal, et al.
Journal of Chemical Theory and Computation
|
July 17, 2025
Enabling Multireference Calculations on Multimetallic Systems with Graphic Processing Units
Valay Agarawal, Rishu Khurana, Cong Liu, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
October 31, 2022
A Synergistic Approach towards Optimization of Coupled Cluster Amplitudes by Exploiting Dynamical Hierarchy
Chayan Patra, Valay Agarawal, Dipanjali Halder, et al.
The Journal of Chemical Physics
|
January 9, 2022
A hybrid coupled cluster-machine learning algorithm: Development of various regression models and benchmark applications
Valay Agarawal, Samrendra Roy, Kapil K Shrawankar, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 14) with videos related to
Sort By:
Page
of 2
The Journal of Chemical Physics
|
October 2, 2021
An approximate coupled cluster theory via nonlinear dynamics and synergetics: The adiabatic decoupling conditions
Valay Agarawal, Chayan Patra, Rahul Maitra
The Journal of Chemical Physics
|
September 3, 2020
Stability analysis of a double similarity transformed coupled cluster theory
Valay Agarawal, Anish Chakraborty, Rahul Maitra
The Journal of Chemical Physics
|
January 30, 2021
Accelerating coupled cluster calculations with nonlinear dynamics and supervised machine learning
Valay Agarawal, Samrendra Roy, Anish Chakraborty, et al.
Journal of Chemical Theory and Computation
|
June 16, 2025
Localized Active Space State Interaction Singles
Matthew R Hermes, Bhavnesh Jangid, Valay Agarawal, et al.
Journal of Chemical Theory and Computation
|
May 24, 2024
Automatic State Interaction with Large Localized Active Spaces for Multimetallic Systems
Valay Agarawal, Daniel S King, Matthew R Hermes, et al.
The Journal of Physical Chemistry Letters
|
August 8, 2022
Periodic Density Matrix Embedding for CO Adsorption on the MgO(001) Surface
Abhishek Mitra, Matthew R Hermes, Minsik Cho, et al.
Angewandte Chemie (International Ed. in English)
|
March 1, 2021
Total Synthesis of the Meroterpenoid Manginoid A as Fueled by a Challenging Pinacol Coupling and Bicycle-forming Etherification
Yu-An Zhang, Amanda Milkovits, Valay Agarawal, et al.
Journal of Chemical Theory and Computation
|
July 17, 2025
Enabling Multireference Calculations on Multimetallic Systems with Graphic Processing Units
Valay Agarawal, Rishu Khurana, Cong Liu, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
October 31, 2022
A Synergistic Approach towards Optimization of Coupled Cluster Amplitudes by Exploiting Dynamical Hierarchy
Chayan Patra, Valay Agarawal, Dipanjali Halder, et al.
The Journal of Chemical Physics
|
January 9, 2022
A hybrid coupled cluster-machine learning algorithm: Development of various regression models and benchmark applications
Valay Agarawal, Samrendra Roy, Kapil K Shrawankar, et al.
Page
of 2