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V
Viki Kumar Prasad
university of toronto
9
H-index
34
Paper Count
374
Citation Count
0
Related Insights
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Published Papers
11
Publication Date
Publication Date
Impact Factor
Citations
A User-Tunable Machine Learning Framework for Step-Wise Synthesis Planning
Digital Discovery
IF
5.6
2026-05-20
0
OA
AI
Shivesh Prakash; Nandan Patel; Hans-Arno Jacobsen; Viki Kumar Prasad
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Parametrized Quantum Circuit Learning for Quantum Chemical Applications
Journal of Chemical Information and Modeling
IF
5.3
2026-03-11
0
PRE
AI
Grier M. Jones; Viki Kumar Prasad; Ulrich Fekl; Hans-Arno Jacobsen
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ABO3 materials clustering with quantum swap-test algorithm
Computational Materials Science
IF
3.3
2025-08-07
0
PRE
AI
Mosayeb Naseri; Maicon Pierre Lourenço; Viki Kumar Prasad; Rishabh Shukla; Yasna Naseri; Gabriela Sanchez Diaz; Daya Gaur; Sergey Gusarov; D.R. Salahub
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Bridging the gap between high-level quantum chemical methods and deep learning models
MACHINE LEARNING-SCIENCE AND TECHNOLOGY
IF
4.6
2024-02-29
1
OA
AI
Prasad, Viki Kumar; Otero-de-la-Roza, Alberto; DiLabio, Gino A.
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BH9, a New Comprehensive Benchmark Data Set for Barrier Heights and Reaction Energies: Assessment of Density Functional Approximations and Basis Set Incompleteness Potentials (vol 18, pg 151, 2022)
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF
5.5
2022-05-13
8
PRE
AI
Prasad, Viki Kumar; Pei, Zhipeng; Edelmann, Simon; Otero-de-la-Roza, Alberto; DiLabio, Gino A.
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Small-Basis Set Density-Functional Theory Methods Corrected with Atom-Centered Potentials
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF
5.5
2022-04-12
12
PRE
AI
Prasad, Viki Kumar; Otero-de-la-Roza, Alberto; DiLabio, Gino A.
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Fast and Accurate Quantum Mechanical Modeling of Large Molecular Systems Using Small Basis Set Hartree-Fock Methods Corrected with Atom-Centered Potentials
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF
5.5
2022-03-21
8
PRE
AI
Prasad, Viki Kumar; Otero-de-la-Roza, Alberto; DiLabio, Gino A.
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BH9, a New Comprehensive Benchmark Data Set for Barrier Heights and Reaction Energies: Assessment of Density Functional Approximations and Basis Set Incompleteness Potentials
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF
5.5
2021-12-16
46
PRE
AI
Prasad, Viki Kumar; Pei, Zhipeng; Edelmann, Simon; Otero-de-la-Roza, Alberto; DiLabio, Gino A.
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Atom-Centered Potentials with Dispersion-Corrected Minimal-Basis-Set Hartree-Fock: An Efficient and Accurate Computational Approach for Large Molecular Systems
JOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF
5.5
2018-01-16
19
OA
AI
Prasad, Viki Kumar; Otero-de-la-Roza, Alberto; DiLabio, Gino A.
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Hydrogen Atom Transfer (HAT) Processes Promoted by the Quinolinimide-N-oxyl Radical. A Kinetic and Theoretical Study
JOURNAL OF ORGANIC CHEMISTRY
IF
3.6
2017-06-06
26
OA
AI
DiLabio, Gino A.; Franchi, Paola; Lanzalunga, Osvaldo; Lapi, Andrea; Lucarini, Fiorella; Lucarini, Marco; Mazzonna, Marco; Prasad, Viki Kumar; Ticconi, Barbara
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Molecular Engineering of Triphenylamine Based Aggregation Enhanced Emissive Fluorophore: Structure-Dependent Mechanochromism and Self-Reversible Fluorescence Switching
CRYSTAL GROWTH & DESIGN
IF
3.4
2016-11-30
97
PRE
AI
Hariharan, Palamarneri Sivaraman; Prasad, Viki Kumar; Nandi, Surajit; Anoop, Anakuthil; Moon, Dohyun; Anthony, Savarimuthu Philip
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Research Directions
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Co-authors
Cooperation Journals
D
Dennis R. Salahub
H-index: 74 · Papers: 410
H
Hans‐Arno Jacobsen
H-index: 49 · Papers: 531
G
Gino A. DiLabio
H-index: 48 · Papers: 230
D
Dohyun Moon
H-index: 47 · Papers: 714
A
Alberto Otero‐de‐la‐Roza
H-index: 40 · Papers: 201
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