30+ Top QCHEM LAB at KNU Online Courses [2024]

MRSF-TDDFT - Balancing Dynamic and NonDynamic Electron Correlations

QM-Rooted Multiscale Simulation - Eyes to See the Unseen, Buried Electric Double Layer

Nonadiabatic Dynamics in the Long Timescale - The Next Challenge in Computational Photochemistry

Calculating the Adsorption Energy of a Charged Adsorbent in a Periodic Metallic System: BH4 Hydrolysis on AG(111) and AU(111) Surfaces

Multireference Quantum Chemistry for Exploring Potential Energy Surfaces

Probing Photochemistry in Protein Environment: QM/MM Study on Rhodopsins

Calculation of Exciton Couplings Based on Density-Functional Tight-Binding Approach with Spin-Restricted Ensemble-Referenced Kohn-Sham Method

DFT on Expensive GPU-based Supercomputer

NAST: Nonadiabatic Statistical Theory Package for Predicting Kinetics of Spin-Dependent Processes

Nonlinear UV Molecular Spectroscopy, X-ray Chiral Dichroism Spectroscopy, and Optical Cavity Manipulation of Conical Intersections

Paragatic Observations Over the Development of Software in Quantum Chemistry

Efficient and Accurate van der Waals Correction for Density Functional Approaches in Material Simulations

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

Recently Added Features in DCDFTBMD Program

Towards Smart Algorithms of Structural Minimization of Low-Dimensional Lattices: Quantum Stability and Topology Conservation Theorem

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QCHEM LAB at KNU Courses

MRSF-TDDFT - Balancing Dynamic and NonDynamic Electron Correlations

QM-Rooted Multiscale Simulation - Eyes to See the Unseen, Buried Electric Double Layer

Nonadiabatic Dynamics in the Long Timescale - The Next Challenge in Computational Photochemistry

Calculating the Adsorption Energy of a Charged Adsorbent in a Periodic Metallic System: BH4 Hydrolysis on AG(111) and AU(111) Surfaces

Multireference Quantum Chemistry for Exploring Potential Energy Surfaces

Probing Photochemistry in Protein Environment: QM/MM Study on Rhodopsins

Calculation of Exciton Couplings Based on Density-Functional Tight-Binding Approach with Spin-Restricted Ensemble-Referenced Kohn-Sham Method

DFT on Expensive GPU-based Supercomputer

NAST: Nonadiabatic Statistical Theory Package for Predicting Kinetics of Spin-Dependent Processes

Nonlinear UV Molecular Spectroscopy, X-ray Chiral Dichroism Spectroscopy, and Optical Cavity Manipulation of Conical Intersections

Paragatic Observations Over the Development of Software in Quantum Chemistry

Efficient and Accurate van der Waals Correction for Density Functional Approaches in Material Simulations

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

Recently Added Features in DCDFTBMD Program

Towards Smart Algorithms of Structural Minimization of Low-Dimensional Lattices: Quantum Stability and Topology Conservation Theorem

QCHEM LAB at KNU Courses

MRSF-TDDFT - Balancing Dynamic and NonDynamic Electron Correlations

QM-Rooted Multiscale Simulation - Eyes to See the Unseen, Buried Electric Double Layer

Nonadiabatic Dynamics in the Long Timescale - The Next Challenge in Computational Photochemistry

Calculating the Adsorption Energy of a Charged Adsorbent in a Periodic Metallic System: BH4 Hydrolysis on AG(111) and AU(111) Surfaces

Multireference Quantum Chemistry for Exploring Potential Energy Surfaces

Probing Photochemistry in Protein Environment: QM/MM Study on Rhodopsins

Calculation of Exciton Couplings Based on Density-Functional Tight-Binding Approach with Spin-Restricted Ensemble-Referenced Kohn-Sham Method

DFT on Expensive GPU-based Supercomputer

NAST: Nonadiabatic Statistical Theory Package for Predicting Kinetics of Spin-Dependent Processes

Nonlinear UV Molecular Spectroscopy, X-ray Chiral Dichroism Spectroscopy, and Optical Cavity Manipulation of Conical Intersections

Paragatic Observations Over the Development of Software in Quantum Chemistry

Efficient and Accurate van der Waals Correction for Density Functional Approaches in Material Simulations

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

Recently Added Features in DCDFTBMD Program

Towards Smart Algorithms of Structural Minimization of Low-Dimensional Lattices: Quantum Stability and Topology Conservation Theorem