Computational chemistry

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Related lectures (32)

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Hybrid QM/MM Approaches

Covers Hybrid QM/MM Approaches, explaining system partitioning, MM potential forms, and practical QM/MM implementation.

Quantum Chemistry

Covers topics related to Quantum Chemistry, including bond orders and molecular structures.

Quantum Chemistry

Covers various topics in quantum chemistry, including color, draw tools, shapes, and mathematical equations.

Quantum Chemistry: Eigenfunctions and Operators

Explores eigenfunctions and operators in quantum chemistry, emphasizing their significance in understanding bound states.

Berni Alder Prize: Celebrating 50 Years of CECAM

Commemorates 50 years of CECAM and the Berni J. Alder CECAM Prize, covering milestones in computational methods, quantum mechanics, slip motion, and more.

Quantum Chemistry

Covers quantum states, symmetries, fermions, and variational principles in quantum chemistry.

Quantum Chemistry

Covers Quantum Chemistry topics like SP Hybridization and orbital conservation.

Computational Chemistry: Basics and Applications

Series covers diverse computational chemistry approaches and their applications in organic chemistry.

Linux Basics: Command Line and Psi4

Covers Linux basics and Psi4 usage for electronic structure calculations.

Computational Molecular Design

Explores Computational Molecular Design, focusing on Mathematical Theory, High Performance Computing, and In Vivo Experiments, with an emphasis on quantum chemistry and electron dynamics.