


Spin Dynamics lecture course
Spin Dynamics is a graduate level lecture course aimed at physicists and chemists working professionally in the area of magnetic resonance spectroscopy or using advanced NMR and EPR techniques as a part of their research. Students who wish to make distance examination arrangements ( e.g. for the course to count towards their degree at their home institution) should contact Ilya Kuprov with the request.
Module I  Basics
Lecture 01  Fourier spectroscopy (by Ilya Kuprov)
Lecture 02  Magnetic resonance instruments (by Giuseppe Pileio)
Lecture 03  Digital signal processing (by Ilya Kuprov)
Lecture 04  Quantum theory of angular momentum (by Ilya Kuprov)
Lecture 05  Quantum mechanical theory of spin (by Ilya Kuprov)
Lecture 06  Spin interaction Hamiltonians, part I (by Ilya Kuprov)
Lecture 07  Spin interaction Hamiltonians, part II (by Ilya Kuprov)
Lecture 08  Formal theory of rotations (by Ilya Kuprov)
Lecture 09  Wavefunction formalism (by Ilya Kuprov)
Lecture 10  Density operator formalism (by Ilya Kuprov)
Lecture 11  Product operator formalism (by Ilya Kuprov)
Lecture 12  Rotating frame approximation (by Ilya Kuprov)
Module II  Algebra
Lecture 01  Vector and matrix spaces (by Ilya Kuprov)
Lecture 03  Formal theory of rotations
(by Ilya Kuprov)
Lecture 04  SU(N) group of unitary transformations (by Ilya Kuprov)
Lecture 05  Simulation design and coding, part I (by Ilya Kuprov)
Lecture 06  Simulation design and coding, part II (by Ilya Kuprov)
Lecture 07  Simulation design and coding, part III (by Ilya Kuprov)
Lecture 08  Simulation design and coding, part IV (by Ilya Kuprov)
Lecture 09  Largescale simulations (by Ilya Kuprov)
Module III  Relaxation theory
Lecture 01  Perturbative relaxation theories (by Ilya Kuprov)
Lecture 02  Correlation functions and spectral densities (by Ilya Kuprov)
Lecture 03  Common relaxation mechanisms (by Ilya Kuprov)
Lecture 04  Applications of liquid state relaxation theory (by Ilya Kuprov)
Lecture 05  Singlet states and their properties (by Giuseppe Pileio)
Lecture 06  Relaxation properties of singlet states (by Giuseppe Pileio)
Lecture 07  Preparation and detection of singlet states, part I (by Giuseppe Pileio)
Lecture 08  Preparation and detection of singlet states, part II (by Giuseppe Pileio)
Module IV  Hyperpolarization
Lecture 01  Simulation of solid state DNP experiments (by Ilya Kuprov)
Lecture 02  DNP experiments and hardware (by Ilya Kuprov)
Lecture 03  Parahydrogeninduced spin polarization
Lecture 04  Spinselective chemical reactions 
Module V  Solid state NMR
Lecture 01  Spin interactions (by Malcolm Levitt)
Lecture 02  Spherical tensors (by Malcolm Levitt)
Lecture 03  Spherical tensors (by Malcolm Levitt)
Lecture 04  Rotating frame approximation (by Malcolm Levitt)
Lecture 05  Average Hamiltonian theory (by Marina Carravetta)
Lecture 06  Polarization transfer and recoupling (by Marina Carravetta)
Lecture 07  NMR of quadrupolar solids (by Marina Carravetta)
Lecture 08  Floquet and FokkerPlanck theory
Module VI  Advanced topics
Lecture 01  Generalized cumulant expansion (by Ilya Kuprov)
Lecture 02  Stochastic Liouville equation (by Ilya Kuprov)
Lecture 03  Spin relaxation in solid state (by Ilya Kuprov)
Lecture 04  Lindblad relaxation theory (by Ilya Kuprov)
Lecture 05  Nuclear quadrupolar interaction (by Ilya Kuprov)
Lecture 06  Introduction to optimal control theory, part I (by Ilya Kuprov)
Lecture 07  Introduction to optimal control theory, part II (by Ilya Kuprov)
Lecture 08  Chemical kinetics in spin systems
Lecture 09  Average Hamiltonian theories
Lecture 10  Restricted state spaces
Lecture 11  Pulsed field gradients
Module VII  Electron Spin Resonance
Lecture 02  Introduction to ESR hardware
Lecture 03  Simulation of frequencyswept ESR experiments
Lecture 04  Applications of ESR spectroscopy
Module VIII  Biological NMR
Lecture 01  Anisotropic interactions in solid state NMR (by Phil Williamson)
Lecture 02  Crosspolarization and dipolar recoupling (by Phil Williamson)
Lecture 03  Protein structure determination in solid state (by Phil Williamson) 
Quantum Chemistry lecture courseQuantum 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 stateoftheart supercomputer hardware. The lectures provide basic theoretical background and focus on providing practical recipes for the calculation of commonly encountered physical and chemical properties.
Lecture 01  The anatomy of a supercomputer (by Ilya Kuprov)
Lecture 02  Standard software and visualization tools (by Ilya Kuprov)
Lecture 03  Methods and terminology, part I (by Ilya Kuprov)
Lecture 04  Methods and terminology, part II (by Ilya Kuprov)
Lecture 05  Methods and terminology, part III (by Ilya Kuprov)
Lecture 06  Molecular geometry optimization (by Ilya Kuprov)
Lecture 07  Standard property calculations, part I (by Ilya Kuprov)
Lecture 08  Standard property calculations, part II (by Ilya Kuprov) Lecture 09  Timedependent SCF and ab initio molecular dynamics
(by Ilya Kuprov)
Lecture 10  Calculation of magnetic parameters, part I (by Ilya Kuprov)
Lecture 11  Calculation of magnetic parameters, part II (by Ilya Kuprov)
Class 3  Semiempirics, HartreeFock and MP2
First year Mathematics for Chemistry lecture courseThis is the mathematics course that was taught to first year undergraduate students at Southampton Chemistry Department in 20142016.
Lecture 01 ( handout, video)  Basic graph manipulation
Lecture 02 ( handout, video)  Complex numbers
Lecture 03 ( handout, video)  Differentiation I
Lecture 04 ( handout, video)  Differentiation II
Lecture 07 ( handout, video)  Transcendental equations
Lecture 08 ( handout, video)  Power series and their convergence
Lecture 09 ( handout, video)  Analysis of univariate functions
Lecture 13 ( handout, video)  Ordinary differential equations I
Lecture 15 ( handout, video)  Ordinary differential equations II
Lecture 16 ( handout, video)  Ordinary differential equations III
Lecture 17 ( handout, video)  Multivariate functions: differentiation
Lecture 18 ( handout, video)  Multivariate functions: integration
Lecture 19 ( handout, video)  Multivariate functions: optimisation
Lecture 20 ( handout, video)  Polar, cylindrical and spherical coordinates
Lecture 22 ( handout, video)  Matrix functions and equations
Lecture 25 ( handout, video)  Partial differential equations
Lecture 26 ( handout, video)  Algebraic foundations of quantum theory




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