Valay Agarawal

University of Chicago — United States

Physics and Astronomy · Physical Sciences

6h-index127citations31works1.52yr avg
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Research Topics

Spectroscopy and Quantum Chemical Studies(11), Advanced Chemical Physics Studies(9), Quantum Computing Algorithms and Architecture(5), Catalytic Processes in Materials Science(4), Quantum Information and Cryptography(3)

Publications31 total

Correction to “Multireference Embedding and Fragmentation Methods for Classical and Quantum Computers: From Model Systems to Realistic Applications”
Chemical Reviews·2026
Multireference Embedding and Fragmentation Methods for Classical and Quantum Computers: From Model Systems to Realistic Applications
Chemical Reviews·2026· 1 cited
The Modern Era of Multireference Methods for Chemistry and Materials Science
2025
Enabling Multireference Calculations on Multimetallic Systems with Graphic Processing Units
Journal of Chemical Theory and Computation·2025
Localized Active Space State Interaction Singles
Journal of Chemical Theory and Computation·2025· 6 cited
Multireference Embedding and Fragmentation Methods for Classical and Quantum Computers: from Model Systems to Realistic Applications
arXiv (Cornell University)·2025Open Access
Enabling Multireference Calculations on Multi-Metallic Systems with Graphic Processing Units
2025Open Access
Enabling Multireference Calculations on Multi-Metallic Systems with Graphic Processing Units
arXiv (Cornell University)·2025Open Access
Pushing the Accuracy Limit of Foundation Neural Network Models with Quantum Monte Carlo Forces and Path Integrals
ArXiv.org·2025Open Access
Localized Active Space State Interaction Singles
2025Open Access
Exploring the Computational Aspects of Propylene Oligomerization Catalysis Using M′ <sub>2</sub> M Type Trimetallic MOF Nodes
The Journal of Physical Chemistry C·2024· 1 cited
Exploring the computational aspects of propyleneoligomerization catalysis using Fe2M typetrimetallic MOF nodes
2024Open Access
Distinguishing homolytic vs heterolytic bond dissociation of phenylsulfonium cations with localized active space methods
The Journal of Chemical Physics·2024· 2 citedOpen Access
Automatic State Interaction with Large Localized Active Spaces for Multimetallic Systems
Journal of Chemical Theory and Computation·2024· 14 cited
Distinguishing homolytic versus heterolytic bond dissociation of phenyl sulfonium cations with localized active space methods
arXiv (Cornell University)·2024Open Access
Automatic State Interaction with Large Localized Active Spaces for Multimetallic Systems
2024· 1 citedOpen Access
Automatic State Interaction with Large Localized Active Spaces for Multimetallic Systems
arXiv (Cornell University)·2024Open Access
A Synergistic Approach towards Optimization of Coupled Cluster Amplitudes by Exploiting Dynamical Hierarchy
ChemPhysChem·2022· 7 cited
Iterative quantum phase estimation with variationally prepared reference state
International Journal of Quantum Chemistry·2022· 14 cited
A Synergistic Approach towards Optimization of Coupled Cluster Amplitudes by Exploiting Dynamical Hierarchy
arXiv (Cornell University)·2022Open Access
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Frequent Co-authors

Matthew R. Hermes(15), Laura Gagliardi(13), Rahul Maitra(9), Dipanjali Halder(5), Qiaohong Wang(5), Rishu Khurana(5), Cong Liu(5), Daniel S. King(4), Anish Chakraborty(4), Matthew R. Hennefarth(4), Abhishek Mitra(3), Amanda Milkovits(3), Bhavnesh Jangid(3), Shreya Verma(3), Soumi Haldar(3), Yu‐An Zhang(2), C. Taylor(2), Scott A. Snyder(2), V. S. Prasannaa(2), Samrendra Roy(2)