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>...

Szczegółowa specyfikacja

Opis bibliograficzny
1. autor:	Edwards, L
Kolejni autorzy:	Kuprov, I
Format:	Praca dyplomowa
Język:	English
Wydane:	2014
Hasła przedmiotowe:	Computational chemistry Applications and algorithms NMR spectroscopy Physical & theoretical chemistry

Podobne zapisy

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

Computational spin dynamics and visualisation of large spin systems
od: Charnock, G, i wsp.
Wydane: (2012)

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

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

Spin relaxation effects in photochemically induced dynamic nuclear polarization spectroscopy of nuclei with strongly anisotropic hyperfine couplings.
od: Kuprov, I, i wsp.
Wydane: (2007)

Nuclear magnetic resonance data processing methods
od: Jones, J, i wsp.
Wydane: (1992)

Reduced dimensionality quantum dynamics of chemical reactions
od: Remmert, S
Wydane: (2011)

Coherent transient spectroscopy with quantum cascade lasers
od: Kirkbride, JMR
Wydane: (2014)

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

Spin-selective reactions of radical pairs act as quantum measurements
od: Jones, J, i wsp.
Wydane: (2010)

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

Quantum master equations for spin chemistry
od: Fay, T
Wydane: (2020)

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

Algorithm development in computational chemistry
od: Cutress, I
Wydane: (2011)

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

Spin-selective chemical reactions in radical pair magnetoreception
od: Lau, J, i wsp.
Wydane: (2014)

Propagators in quantum chemistry /
od: 344820 Linderberg, Jan, i wsp.
Wydane: (1973)

Learning from Failure: Predicting Electronic Structure Calculation Outcomes with Machine Learning Models
od: Duan, Chenru, i wsp.
Wydane: (2020)

Solving the Trivial Crossing Problem While Preserving the Nodal Symmetry of the Wave Function
od: Lee, Elizabeth M. Y., i wsp.
Wydane: (2020)

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

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

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

High resolution spectroscopy of open shell clusters
od: Dennis, C, i wsp.
Wydane: (1997)

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

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

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

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

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

Experimental physical chemistry /
od: 459258 Das, R. C., i wsp.
Wydane: (1983)

Practical physical chemistry/
od: 442547 Findlay, Alexander
Wydane: (1954)

Practical physical chemistry/
od: 442547 Findlay, Alexander, i wsp.
Wydane: (1973)

Introduction to computational chemistry /
od: 290797 Jensen, Frank
Wydane: (1999)

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

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

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

Introduction to computational chemistry /
od: 290797 Jensen, Frank
Wydane: (2007)

Quantities, units, and symbols in physical chemistry /
od: Mills, Ian (Ian M.), i wsp.
Wydane: (2007)

Magnetic field effects in chemical systems
od: Rodgers, C, i wsp.
Wydane: (2007)

The effects of electronic quenching on the collision dynamics of OH(A) with Kr and Xe
od: Perkins, T, i wsp.
Wydane: (2014)

Photoexcited state dynamics in carotenoids
od: Manawadu, D
Wydane: (2023)