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Agarawal, Valay
18  results:
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1

Automatic State Interaction with Large Localized Active Spa..:

Agarawal, Valay ; King, Daniel S. ; Hermes, Matthew R..
Journal of Chemical Theory and Computation.  20 (2024)  11 - p. 4654-4662 , 2024
Link: https://doi.org/10.1021/..
 
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2

Distinguishing homolytic vs heterolytic bond dissociation o..:

Wang, Qiaohong ; Agarawal, Valay ; Hermes, Matthew R....
The Journal of Chemical Physics.  161 (2024)  1 - p. , 2024
Link: https://doi.org/10.1063/..
 
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3

A Synergistic Approach towards Optimization of Coupled Clus..:

Patra, Chayan ; Agarawal, Valay ; Halder, Dipanjali...
ChemPhysChem.  24 (2022)  4 - p. , 2022
Link: https://doi.org/10.1002/..
 
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4

Periodic Density Matrix Embedding for CO Adsorption on the ..:

Mitra, Abhishek ; Hermes, Matthew R. ; Cho, Minsik..
The Journal of Physical Chemistry Letters.  13 (2022)  32 - p. 7483-7489 , 2022
Link: https://doi.org/10.1021/..
 
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5

A hybrid coupled cluster–machine learning algorithm: Develo..:

Agarawal, Valay ; Roy, Samrendra ; Shrawankar, Kapil K....
The Journal of Chemical Physics.  156 (2022)  1 - p. , 2022
Link: https://doi.org/10.1063/..
 
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6

Iterative quantum phase estimation with variationally prepa..:

Halder, Dipanjali ; Prasannaa, V. Srinivasa ; Agarawal, Valay.
International Journal of Quantum Chemistry.  123 (2022)  3 - p. , 2022
Link: https://doi.org/10.1002/..
 
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7

An approximate coupled cluster theory via nonlinear dynamic..:

Agarawal, Valay ; Patra, Chayan ; Maitra, Rahul
The Journal of Chemical Physics.  155 (2021)  12 - p. , 2021
Link: https://doi.org/10.1063/..
 
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8

Total Synthesis of the Meroterpenoid Manginoid A as Fueled ..:

Zhang, Yu‐An ; Milkovits, Amanda ; Agarawal, Valay..
Angewandte Chemie International Edition.  60 (2021)  20 - p. 11127-11132 , 2021
Link: https://doi.org/10.1002/..
 
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9

Accelerating coupled cluster calculations with nonlinear dy..:

Agarawal, Valay ; Roy, Samrendra ; Chakraborty, Anish.
The Journal of Chemical Physics.  154 (2021)  4 - p. , 2021
Link: https://doi.org/10.1063/..
 
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10

Total Synthesis of the Meroterpenoid Manginoid A as Fueled ..:

Zhang, Yu‐An ; Milkovits, Amanda ; Agarawal, Valay..
Angewandte Chemie.  133 (2021)  20 - p. 11227-11232 , 2021
Link: https://doi.org/10.1002/..
 
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11

Stability analysis of a double similarity transformed coupl..:

Agarawal, Valay ; Chakraborty, Anish ; Maitra, Rahul
The Journal of Chemical Physics.  153 (2020)  8 - p. , 2020
Link: https://doi.org/10.1063/..
 
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12

A Synergistic Approach towards Optimization of Coupled Clus..:

Patra, Chayan ; Agarawal, Valay ; Halder, Dipanjali...
http://arxiv.org/abs/2208.11490.  , 2022
Link: http://arxiv.org/abs/220..
 
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13

Periodic Density Matrix Embedding for CO Adsorption on the ..:

Mitra, Abhishek ; Hermes, Matthew R ; Cho, Minsik..
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC9393885/.  , 2022
Link: http://www.ncbi.nlm.nih...
 
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14

An Approximate Coupled Cluster Theory via Nonlinear Dynamic..:

Agarawal, Valay ; Patra, Chayan ; Maitra, Rahul
http://arxiv.org/abs/2106.05069.  , 2021
Link: http://arxiv.org/abs/210..
 
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15

Digital quantum simulation of strong correlation effects wi..:

Halder, Dipanjali ; V., Srinivasa Prasannaa ; Agarawal, Valay.
http://arxiv.org/abs/2110.02864.  , 2021
Link: http://arxiv.org/abs/211..
 
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