Valay Agarawal

9PUBLICATIONS
23CO-AUTHORS
Applications in life sciencesApplications in physical sciencesQuantum information, computation and communicationOptimisationLasers and quantum electronics
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Publications (9)

|Apr 03, 2026
Multireference Methods for Chemistry and Materials Science: Automated Active Spaces, Efficient Dynamic Correlation, and Extended Systems.

Jacob J Wardzala, Matthew R Hennefarth, Valay Agarawal

|Feb 24, 2026
Correction to "Multireference Embedding and Fragmentation Methods for Classical and Quantum Computers: From Model Systems to Realistic Applications".

Shreya Verma, Abhishek Mitra, Qiaohong Wang

|Jan 02, 2026
Multireference Embedding and Fragmentation Methods for Classical and Quantum Computers: From Model Systems to Realistic Applications.

Shreya Verma, Abhishek Mitra, Qiaohong Wang

|Jul 17, 2025
Enabling Multireference Calculations on Multimetallic Systems with Graphic Processing Units.

Valay Agarawal, Rishu Khurana, Cong Liu

|Jun 16, 2025
Localized Active Space State Interaction Singles.

Matthew R Hermes, Bhavnesh Jangid, Valay Agarawal

|Jul 01, 2024
Distinguishing homolytic vs heterolytic bond dissociation of phenylsulfonium cations with localized active space methods.

Qiaohong Wang, Valay Agarawal, Matthew R Hermes

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Frequent Collaborators

8 joint publications

Matthew R Hermes

8 joint publications

Laura Gagliardi

4 joint publications

Bhavnesh Jangid

3 joint publications

Abhishek Mitra