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Raghunathan Ramakrishnan

Showing results (1-10 of 34) with videos related to

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The Journal of Chemical Physics|July 3, 2020
Publisher's Note: "Charge-transfer selectivity and quantum interference in real-time electron dynamics: Gaining insights from time-dependent configuration interaction simulations" [J. Chem. Phys. 152, 194111 (2020)]Raghunathan Ramakrishnan
The Journal of Chemical Physics|March 9, 2021
Charge-transfer selectivity and quantum interference in real-time electron dynamics: Gaining insights from time-dependent configuration interaction simulationsRaghunathan Ramakrishnan
The Journal of Chemical Physics|April 24, 2015
Semi-quartic force fields retrieved from multi-mode expansions: Accuracy, scaling behavior, and approximationsRaghunathan Ramakrishnan, Guntram Rauhut
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|January 8, 2013
Vibrational energy levels of difluorodioxirane computed with variational and perturbative methods from a hybrid force fieldRaghunathan Ramakrishnan, Tucker Carrington
Journal of Computational Chemistry|September 18, 2025
Leveraging the Bias-Variance Tradeoff in Quantum Chemistry for Accurate Negative Singlet-Triplet Gap Predictions: A Case for Double-Hybrid DFTAtreyee Majumdar, Raghunathan Ramakrishnan
The Journal of Chemical Physics|April 15, 2019
Machine learning modeling of Wigner intracule functionals for two electrons in one-dimensionRutvij Bhavsar, Raghunathan Ramakrishnan
The Journal of Chemical Physics|December 21, 2023
Bandgaps of long-period polytypes of IV, IV-IV, and III-V semiconductors estimated with an Ising-type additivity modelRaghunathan Ramakrishnan, Shruti Jain
The Journal of Chemical Physics|February 16, 2021
High-throughput design of Peierls and charge density wave phases in Q1D organometallic materialsPrakriti Kayastha, Raghunathan Ramakrishnan
Chemistry (Weinheim an Der Bergstrasse, Germany)|February 5, 2026
Insights Into Symmetry and Substitution Patterns Governing Singlet-Triplet Energy Gap in the Chemical Space of AzaphenalenesAtreyee Majumdar, Raghunathan Ramakrishnan
The Journal of Chemical Physics|January 23, 2026
Enhancing NMR shielding predictions of atoms-in-molecules machine learning models with neighborhood-informed representationsSurajit Das, Raghunathan Ramakrishnan
Pageof 4

Showing results (1-10 of 34) with videos related to

Sort By:
Pageof 4
The Journal of Chemical Physics|July 3, 2020
Publisher's Note: "Charge-transfer selectivity and quantum interference in real-time electron dynamics: Gaining insights from time-dependent configuration interaction simulations" [J. Chem. Phys. 152, 194111 (2020)]Raghunathan Ramakrishnan
The Journal of Chemical Physics|March 9, 2021
Charge-transfer selectivity and quantum interference in real-time electron dynamics: Gaining insights from time-dependent configuration interaction simulationsRaghunathan Ramakrishnan
The Journal of Chemical Physics|April 24, 2015
Semi-quartic force fields retrieved from multi-mode expansions: Accuracy, scaling behavior, and approximationsRaghunathan Ramakrishnan, Guntram Rauhut
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy|January 8, 2013
Vibrational energy levels of difluorodioxirane computed with variational and perturbative methods from a hybrid force fieldRaghunathan Ramakrishnan, Tucker Carrington
Journal of Computational Chemistry|September 18, 2025
Leveraging the Bias-Variance Tradeoff in Quantum Chemistry for Accurate Negative Singlet-Triplet Gap Predictions: A Case for Double-Hybrid DFTAtreyee Majumdar, Raghunathan Ramakrishnan
The Journal of Chemical Physics|April 15, 2019
Machine learning modeling of Wigner intracule functionals for two electrons in one-dimensionRutvij Bhavsar, Raghunathan Ramakrishnan
The Journal of Chemical Physics|December 21, 2023
Bandgaps of long-period polytypes of IV, IV-IV, and III-V semiconductors estimated with an Ising-type additivity modelRaghunathan Ramakrishnan, Shruti Jain
The Journal of Chemical Physics|February 16, 2021
High-throughput design of Peierls and charge density wave phases in Q1D organometallic materialsPrakriti Kayastha, Raghunathan Ramakrishnan
Chemistry (Weinheim an Der Bergstrasse, Germany)|February 5, 2026
Insights Into Symmetry and Substitution Patterns Governing Singlet-Triplet Energy Gap in the Chemical Space of AzaphenalenesAtreyee Majumdar, Raghunathan Ramakrishnan
The Journal of Chemical Physics|January 23, 2026
Enhancing NMR shielding predictions of atoms-in-molecules machine learning models with neighborhood-informed representationsSurajit Das, Raghunathan Ramakrishnan
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