QCHEM LAB at KNU Courses

MRSF-TDDFT - Balancing Dynamic and NonDynamic Electron Correlations

Explore advanced quantum chemistry techniques for balancing dynamic and non-dynamic electron correlations in MRSF-TDDFT calculations.

• YouTube
• 57 minutes
• On-Demand
• Free Video

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

Explore advanced QM-rooted multiscale simulation techniques to visualize and analyze hidden electric double layers in complex systems.

• YouTube
• 24 minutes
• On-Demand
• Free Video

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

Explore nonadiabatic dynamics in long timescales and its impact on computational photochemistry. Gain insights into cutting-edge research challenges and potential solutions.

• YouTube
• 32 minutes
• On-Demand
• Free Video

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

Learn to calculate adsorption energy for charged adsorbents on periodic metallic systems, focusing on BH4 hydrolysis on AG(111) and AU(111) surfaces.

• YouTube
• 26 minutes
• On-Demand
• Free Video

Multireference Quantum Chemistry for Exploring Potential Energy Surfaces

Explore potential energy surfaces using advanced multireference quantum chemistry techniques. Gain insights into complex molecular systems and their behavior.

• YouTube
• 28 minutes
• On-Demand
• Free Video

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

Explore photochemistry in proteins through QM/MM studies on Rhodopsins, uncovering molecular mechanisms and protein-chromophore interactions.

• YouTube
• 29 minutes
• On-Demand
• Free Video

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

Explore density-functional tight-binding and spin-restricted ensemble-referenced Kohn-Sham methods for calculating exciton couplings in quantum chemistry.

• YouTube
• 28 minutes
• On-Demand
• Free Video

DFT on Expensive GPU-based Supercomputer

Explore advanced density functional theory computations using high-performance GPU supercomputers for cutting-edge quantum chemistry research.

• YouTube
• 25 minutes
• On-Demand
• Free Video

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

Explore nonadiabatic statistical theory for predicting spin-dependent process kinetics, comparing methods and examining real-world applications like ISC and surface reactions.

• YouTube
• 36 minutes
• On-Demand
• Free Video

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

Explore advanced spectroscopy techniques and optical cavity manipulation for molecular analysis, focusing on nonlinear UV, X-ray chiral dichroism, and conical intersections.

• YouTube
• 25 minutes
• On-Demand
• Free Video

Paragatic Observations Over the Development of Software in Quantum Chemistry

Explore pragmatic insights into quantum chemistry software development, focusing on key trends and practical considerations in this evolving field.

• YouTube
• 30 minutes
• On-Demand
• Free Video

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

Explore efficient van der Waals corrections for density functional approaches in material simulations, enhancing accuracy in computational chemistry.

• YouTube
• 27 minutes
• On-Demand
• Free Video

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

Explore an innovative fragmentation approach for large-scale electronic structure calculations, enhancing computational efficiency in quantum chemistry.

• YouTube
• 31 minutes
• On-Demand
• Free Video

Recently Added Features in DCDFTBMD Program

Explore recent additions to DCDFTBMD program, enhancing molecular dynamics simulations and computational chemistry capabilities.

• YouTube
• 22 minutes
• On-Demand
• Free Video

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

Explore quantum stability and topology conservation in structural minimization of low-dimensional lattices through smart algorithms.

• YouTube
• 31 minutes
• On-Demand
• Free Video