Highly efficient quantum spin dynamics simulation algorithms

Highly efficient quantum spin dynamics simulation algorithms

<p> Spin dynamics simulations are used to gain insight into important magnetic resonance experiments in the fields of chemistry, biochemistry, and physics. Presented in this thesis are investigations into how to accelerate these simulations by making them more efficient. </p> <p>...

Fuld beskrivelse

Bibliografiske detaljer
Hovedforfatter:	Edwards, L
Andre forfattere:	Kuprov, I
Format:	Thesis
Sprog:	English
Udgivet:	2014
Fag:	Computational chemistry Applications and algorithms NMR spectroscopy Physical & theoretical chemistry

Lignende værker

Simulation of coherence selection by pulsed field gradients in liquid-state NMR using an auxiliary matrix formalism
af: Edwards, L
Udgivet: (2014)

Computational spin dynamics and visualisation of large spin systems
af: Charnock, G, et al.
Udgivet: (2012)

Coherent spin dynamics of radical pairs in weak magnetic fields
af: Hogben, H
Udgivet: (2011)

Simulation studies of recombination kinetics and spin dynamics in radiation chemistry
af: Agarwal, A
Udgivet: (2011)

Spin relaxation effects in photochemically induced dynamic nuclear polarization spectroscopy of nuclei with strongly anisotropic hyperfine couplings.
af: Kuprov, I, et al.
Udgivet: (2007)

Nuclear magnetic resonance data processing methods
af: Jones, J, et al.
Udgivet: (1992)

Reduced dimensionality quantum dynamics of chemical reactions
af: Remmert, S
Udgivet: (2011)

Coherent transient spectroscopy with quantum cascade lasers
af: Kirkbride, JMR
Udgivet: (2014)

Spin dynamics calculations applied to systems of potential biological significance
af: Player, TC
Udgivet: (2021)

Spin-selective reactions of radical pairs act as quantum measurements
af: Jones, J, et al.
Udgivet: (2010)

Investigations of open-shell open-shell Van der Waals complexes
af: Economides, G
Udgivet: (2013)

Quantum master equations for spin chemistry
af: Fay, T
Udgivet: (2020)

Prediction of NMR J-coupling in condensed matter
af: Green, T
Udgivet: (2014)

Algorithm development in computational chemistry
af: Cutress, I
Udgivet: (2011)

Quantum and optical dynamics of matter for nanotechnology /
af: Putz, Mihai V., author
Udgivet: (2014)

Spin-selective chemical reactions in radical pair magnetoreception
af: Lau, J, et al.
Udgivet: (2014)

Propagators in quantum chemistry /
af: 344820 Linderberg, Jan, et al.
Udgivet: (1973)

Learning from Failure: Predicting Electronic Structure Calculation Outcomes with Machine Learning Models
af: Duan, Chenru, et al.
Udgivet: (2020)

Solving the Trivial Crossing Problem While Preserving the Nodal Symmetry of the Wave Function
af: Lee, Elizabeth M. Y., et al.
Udgivet: (2020)

Group theoretical techniques in quantum chemistry /
af: Chisholm, C. D. H., author 387983
Udgivet: (1976)

Quantum information and computation for chemistry (vol. 154) /
af: Kais, Sabre
Udgivet: (2014)

Coherent transfer between electron and nuclear spin qubits and their decoherence properties
af: Brown, R
Udgivet: (2012)

High resolution spectroscopy of open shell clusters
af: Dennis, C, et al.
Udgivet: (1997)

Theoretical studies of tunnel-coupled double quantum dots
af: Jayatilaka, FW
Udgivet: (2013)

Applications of optical-cavity-based spectroscopic techniques in the condensed phase
af: Li, J
Udgivet: (2014)

Analysis of small volume liquid samples using cavity enhanced absorption spectroscopies
af: Rushworth, CM
Udgivet: (2012)

Unified quantum theory of electrochemical kinetics by coupled ion–electron transfer
af: Bazant, Martin Z.
Udgivet: (2024)

First-principles calculations of NMR parameters for materials applications
af: Lynch, C
Udgivet: (2017)

Experimental physical chemistry /
af: 459258 Das, R. C., et al.
Udgivet: (1983)

Practical physical chemistry/
af: 442547 Findlay, Alexander
Udgivet: (1954)

Practical physical chemistry/
af: 442547 Findlay, Alexander, et al.
Udgivet: (1973)

Introduction to computational chemistry /
af: 290797 Jensen, Frank
Udgivet: (1999)

Essentials of computational chemistry : theories and models /
af: Cramer, Christopher J., 1961-
Udgivet: (2004)

International Union of Pure and Applied Chemistry. Division of Physical chemistry : Commission on Physicochemical Symbols, Terminology and symbols in physical chemistry /
af: Mill, Ian
Udgivet: (1988)

Manual of symbols and terminology for physicochemical quantities and units/
af: 4257 International Union of Pure and Applied Chemistry. Commission on Symbols, Terminology and Units
Udgivet: (1979)

Introduction to computational chemistry /
af: 290797 Jensen, Frank
Udgivet: (2007)

Quantities, units, and symbols in physical chemistry /
af: Mills, Ian (Ian M.), et al.
Udgivet: (2007)

Magnetic field effects in chemical systems
af: Rodgers, C, et al.
Udgivet: (2007)

The effects of electronic quenching on the collision dynamics of OH(A) with Kr and Xe
af: Perkins, T, et al.
Udgivet: (2014)

Photoexcited state dynamics in carotenoids
af: Manawadu, D
Udgivet: (2023)