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    Electronic-Structure Informatics: Concept, Method, Applications, and Plausible Extension

    Electronic-Structure Informatics: Concept, Method, Applications, and Plausible Extension

    28:53 |
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    Part 1: Quick introduction to OQP abilities

    Part 1: Quick introduction to OQP abilities

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    QM-rooted multiscale simulation: eyes to see the unseen, buried electric double layer

    QM-rooted multiscale simulation: eyes to see the unseen, buried electric double layer

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    Part 6: Optimizer options and Conical Intersection

    Part 6: Optimizer options and Conical Intersection

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    MRSF-TDDFT: (Balancing Dynamic and NonDynamic Electron Correlations)

    MRSF-TDDFT: (Balancing Dynamic and NonDynamic Electron Correlations)

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    Part 2: How to install OQP

    Part 2: How to install OQP

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    MRSF-TDDFT: A simple yet powerful quantum theory

    MRSF-TDDFT: A simple yet powerful quantum theory

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    Part 7: How to deal with not-converged SCF

    Part 7: How to deal with not-converged SCF

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    Electronic-Structure Informatics: Concept, Method, Applications, and Plausible Extension

    Electronic-Structure Informatics: Concept, Method, Applications, and Plausible Extension

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    Part 4: A quick interpretation of the .log file

    Part 4: A quick interpretation of the .log file

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    Part 3: Detailed introduction to Input options

    Part 3: Detailed introduction to Input options

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    Part 5: How to use .json file for geometry optimization

    Part 5: How to use .json file for geometry optimization

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    The Simulation of Time-Resolved of Core Spectroscopy: Lectured by Prof. Michael Schuurman

    The Simulation of Time-Resolved of Core Spectroscopy: Lectured by Prof. Michael Schuurman

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    Exploring potential energy surfaces with the unified reaction valley approach (URVA)

    Exploring potential energy surfaces with the unified reaction valley approach (URVA)

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    Q-Chem Open Teamware Project: From Laptops to the Clouds: Lectured by Dr. Anna Krylov

    Q-Chem Open Teamware Project: From Laptops to the Clouds: Lectured by Dr. Anna Krylov

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    Towards smart algorithms of structural minimization of low-dimensional lattices: Quantum stability..

    Towards smart algorithms of structural minimization of low-dimensional lattices: Quantum stability..

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    ZZDecomposer: Lectured by Dr. Henryk Witek

    ZZDecomposer: Lectured by Dr. Henryk Witek

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    Efficient and accurate van der Waals correction for density functional approaches in material...

    Efficient and accurate van der Waals correction for density functional approaches in material...

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    Energy-Screened Fragmentation Approach for Large-Scale Electronic Structure Calculations

    Energy-Screened Fragmentation Approach for Large-Scale Electronic Structure Calculations

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    Learning about Machine Learning: lectured by Roger D. Amos

    Learning about Machine Learning: lectured by Roger D. Amos

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    Digital Discovery of Molecules and Materials: Lectured by Prof. Yousung Jung

    Digital Discovery of Molecules and Materials: Lectured by Prof. Yousung Jung

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