Engineering Chemistry 1
Learn about Engineering chemistry starting with Introduction to Chemistry & Quantum Chemical Methods and explore Oppenheimer Approximation, etc. in this course.
Reality and the Orbital Approximation in Freshman Organic Chemistry - Lecture 10
Explore quantum mechanics in organic chemistry, from probability density to hybrid orbitals, and the challenges of describing multi-electron systems using one-electron models.
Introductory Quantum Chemistry
Explore quantum chemistry fundamentals, from wave-particle duality to molecular orbitals. Master key concepts, equations, and theories through comprehensive lectures and practical applications.
Chemistry I - Introduction to Quantum Chemistry and Molecular Spectroscopy
Explore quantum chemistry and molecular spectroscopy, covering topics from Bohr's atom to polyatomic vibrations, with a focus on mathematical foundations and practical applications.
Quantum Chemistry of Atoms and Molecules
The course introduces students to quantum Chemistry. The syllabus is as follows. Black body radiation. Failure of classical mechanics. Marsden experiment and Rutherford theory. Hydrogen atom spectrum. Bohr Sommerfeld theory. etc.
Quantum Chemistry
Explore fundamental concepts of quantum chemistry, from wave-particle duality to Schrödinger equations, probability, and quantum operators, providing a comprehensive foundation for advanced chemical studies.
Introduction to Applications of Quantum Computing to Quantum Chemistry - Class 3
Explore quantum computing applications in quantum chemistry, focusing on advanced concepts and practical implementations.
Introduction to Applications of Quantum Computing to Quantum Chemistry - Class 4
Explore quantum computing applications in quantum chemistry, focusing on advanced concepts and practical implementations.
Introduction to Applications of Quantum Computing to Quantum Chemistry - Class 2
Explore quantum computing applications in quantum chemistry, focusing on advanced concepts and practical implementations.
Quantum Computing for Quantum Chemistry
Explore quantum computing's potential in solving complex quantum chemistry problems, focusing on electronic structure and Hamiltonian partitioning techniques.
Coordination Chemistry
Explore coordination chemistry, quantum mechanics, and organic compounds. Learn about molecular structures, theories, and applications in biological systems and chemical reactions.
Physical Chemistry
Comprehensive exploration of physical chemistry principles, covering thermodynamics, quantum mechanics, and chemical kinetics. Ideal for students seeking in-depth understanding of chemical systems and their behavior.
A Mathematical Look at Electronic Structure Theory - JuliaCon 2021 Workshop
Explore density-functional theory and numerical techniques for solving it using Julia. Learn about discretization, solution algorithms, and practical implementation with hands-on coding exercises.
DFTK - A Julian Approach for Simulating Electrons in Solids
Introducing DFTK: A Julia package for density-functional theory simulations, offering flexibility for practical calculations and mathematical development in electronic structure research.
At the Top of Mt. Fuji - Uniting Theory and Observations of Oxygen Triple Isotope Systematics
Explore oxygen triple isotope systematics through theory and observations, uniting molecular insights with practical applications in geochemistry and beyond.
Physics-Informed Automatic Differentiation in Scientific Simulations
Explore how automatic differentiation intersects with physical symmetries and numerical analysis in scientific simulations, focusing on materials science applications in DFTK.jl.
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.
DFT on Expensive GPU-based Supercomputer
Explore advanced density functional theory computations using high-performance GPU supercomputers for cutting-edge quantum chemistry research.
Recently Added Features in DCDFTBMD Program
Explore recent additions to DCDFTBMD program, enhancing molecular dynamics simulations and computational chemistry capabilities.
Interpreting Quantum Chemistry Log Files - Part 4
Uncover the secrets of quantum chemistry log files with Prof. Choi's expert interpretation, gaining valuable insights into complex calculations and advancing your understanding of molecular phenomena.
Detailed Introduction to Input Options in Quantum Chemistry
Explore input options in quantum chemistry with Prof. Choi. Gain insights into fundamental concepts and advanced techniques for both beginners and experienced practitioners.