Spin Dynamics lecture course
Spin Dynamics is a graduate level lecture course aimed at physicists and chemists working in the area of magnetic resonance spectroscopy or using NMR and EPR as part of their research. Term I will provide the general physical and mathematical background of magnetic resonance, as well as an introduction to data processing and spin system analysis. Terms II and III will focus specifically on theoretical and computational aspects of spin dynamics.
Michaelmas Term
( handout, video) Lecture 01 - Basics - Introduction to Fourier spectroscopy ( handout, video) Lecture 02 - Basics - Introduction to digital signal processing ( handout, video) Lecture 03 - Basics - Introduction to digital signal processing ( handout, video) Lecture 04 - Basics - Quantum theory of angular momentum ( handout, video) Lecture 05 - Basics - Quantum mechanical theory of spin ( handout, video) Lecture 06 - Basics - Spin interactions and couplings, part I ( handout, video) Lecture 07 - Basics - Spin interactions and couplings, part II ( handout, video) Lecture 08 - Basics - Wavefunction formalism ( handout, video) Lecture 09 - Basics - Density operator formalism ( handout, video) Lecture 10 - Basics - Product operator formalism
Hilary Term
( handout, video) Lecture 11 - Algebraic foundations - Function and operator spaces
( handout, video) Lecture 12 - Algebraic foundations - Superoperator spaces and matrix scalar products
( handout, video) Lecture 13 - Algebraic foundations - Groups and algebras, part I
( handout, video) Lecture 14 - Algebraic foundations - Groups and algebras, part II
( handout, video) Lecture 15 - Algebraic foundations - Groups and algebras, part III ( handout, video) Lecture 16 - Algebraic foundations - SO(3) rotation group ( handout, video) Lecture 17 - Algebraic foundations - Spatial rotations in spin systems ( handout, video) Lecture 18 - Algebraic foundations - SU(N) group of unitary transformations ( handout, video) Lecture 19 - Algebraic foundations - Simulation design and coding, part I ( handout, video) Lecture 20 - Algebraic foundations - Simulation design and coding, part II
Trinity Term
Lecture 25 - Advanced topics - Stochastic Liouville equation
Lecture 29 - Advanced topics - Average Hamiltonian theories
Lecture 30 - Advanced topics - Restricted state spaces
Workshops and Classes
( handout, video) Nuclear quadrupolar interaction, DAS, DOR and MQMAS ( handout, video) Formal theory of rotations (iMR workshop at Warwick Univerisity) ( handout, video) Large-scale spin dynamics simulations (iMR workshop at Warwick University)
Computational Quantum Chemistry courseComputational Quantum Chemistry is a graduate level course aimed at chemists, physicists and biologists who wish to acquire practical skills of performing ab initio, DFT and molecular dynamics simulations of realistic systems using modern software and state-of-the-art supercomputer hardware. The lectures provide basic theoretical background and focus on providing practical recipes for the calculation of commonly encountered physical and chemical properties. The hands-on classes will take place at the Oxford Supercomputing Centre.
( handout, video) Lecture 01 - The anatomy of a supercomputer ( handout, video) Lecture 04 - Methods and buzzwords, part II ( handout, video) Lecture 05 - Methods and buzzwords, part III
( handout, video) Lecture 06 - Molecular geometry optimization ( handout, video) Lecture 07 - Basic property calculations, part I ( handout, video) Lecture 08 - Basic property calculations, part II ( handout, video) Lecture 09 - Time-dependent HF and DFT
( handout, video) Lecture 11 - Calculation of magnetic parameters, part I ( handout, video) Lecture 12 - Calculation of magnetic parameters, part II ( handout, video) Lecture 13 - Ab initio molecular dynamics
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Lectures
