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D'Cunha, Ruhee
13  results:
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1

State Preparation in Quantum Algorithms for Fragment-Based ..:

D'Cunha, Ruhee ; Otten, Matthew ; Hermes, Matthew R...
Journal of Chemical Theory and Computation.  , 2024
Link: https://doi.org/10.1021/..
 
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2

Challenges in the Use of Quantum Computing Hardware-Efficie..:

D'Cunha, Ruhee ; Crawford, T. Daniel ; Motta, Mario.
The Journal of Physical Chemistry A.  127 (2023)  15 - p. 3437-3448 , 2023
Link: https://doi.org/10.1021/..
 
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3

Applications of a perturbation-aware local correlation meth..:

D'Cunha, Ruhee ; Crawford, T. Daniel
Molecular Physics.  121 (2022)  9-10 - p. , 2022
Link: https://doi.org/10.1080/..
 
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4

Modeling Complex Solvent Effects on the Optical Rotation of..:

D'Cunha, Ruhee ; Crawford, T. Daniel
The Journal of Physical Chemistry A.  125 (2021)  15 - p. 3095-3108 , 2021
Link: https://doi.org/10.1021/..
 
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5

Machine-Learning Coupled Cluster Properties through a Densi..:

Peyton, Benjamin G. ; Briggs, Connor ; D'Cunha, Ruhee..
The Journal of Physical Chemistry A.  124 (2020)  23 - p. 4861-4871 , 2020
Link: https://doi.org/10.1021/..
 
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6

PNO++: Perturbed Pair Natural Orbitals for Coupled Cluster ..:

D'Cunha, Ruhee ; Crawford, T. Daniel
Journal of Chemical Theory and Computation.  17 (2020)  1 - p. 290-301 , 2020
Link: https://doi.org/10.1021/..
 
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7

Dihydrochelerythrine and its derivatives: Synthesis and the..:

Malhotra, Rajesh ; Rarhi, Chhanda ; Diveshkumar, K.V....
Bioorganic & Medicinal Chemistry.  24 (2016)  13 - p. 2887-2896 , 2016
Link: https://doi.org/10.1016/..
 
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8

State preparation in quantum algorithms for fragment-based ..:

D'Cunha, Ruhee ; Otten, Matthew ; Hermes, Matthew R..
http://arxiv.org/abs/2305.18110.  , 2023
Link: http://arxiv.org/abs/230..
 
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9

Challenges in the use of quantum computing hardware-efficie..:

D'Cunha, Ruhee ; Crawford, T. Daniel ; Motta, Mario.
http://arxiv.org/abs/2208.09832.  , 2022
Link: http://arxiv.org/abs/220..
 
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10

Applications of a perturbation-aware local correlation meth..:

D'Cunha, Ruhee ; Crawford, T. Daniel
http://arxiv.org/abs/2206.05249.  , 2022
Link: http://arxiv.org/abs/220..
 
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11

Machine-Learning Coupled Cluster Properties through a Densi..:

T. Daniel Crawford ; Benjamin G Peyton ; Johannes T. Margraf..
doi:10.7294/a822-4m33.  , 2020
Link: https://doi.org/10.7294/..
 
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12

Machine-Learning Coupled Cluster Properties through a Densi..:

T. Daniel Crawford (10188938) ; Benjamin G Peyton (10188941) ; Johannes T. Margraf (10188944)..
https://figshare.com/articles/dataset/Machine-Learning_Coupled_Cluster_Properties_through_a_Density_Tensor_Representation/14103509.  , 2020
Link: https://doi.org/10.7294/..
 
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13

Modeling Complex Solvent Effects on the Optical Rotation of..:

Ruhee D'Cunha (8921372) ; T. Daniel Crawford (1487743)
https://figshare.com/articles/journal_contribution/Modeling_Complex_Solvent_Effects_on_the_Optical_Rotation_of_Chiral_Molecules_A_Combined_Molecular_Dynamics_and_Density_Functional_Theory_Study/14388035.  , 1753
Link: https://doi.org/10.1021/..
 
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