Ring polymer molecular dynamics

Ring polymer molecular dynamics

<p>This thesis presents the ring polymer molecular dynamics (RPMD) approximation to the Kubo-transformed time correlation function and shows how it may be used as the basis of an approximate quantum-mechanical method for determining the dynamical properties of condensed-phase molecular system...

Disgrifiad llawn

Manylion Llyfryddiaeth
Prif Awduron:	Craig, I, Ian R. Craig
Awduron Eraill:	Manolopoulos, D
Fformat:	Traethawd Ymchwil
Iaith:	English
Cyhoeddwyd:	2006
Pynciau:	Molecular dynamics Condensed matter

Eitemau Tebyg

The art of molecular dynamics simulation /
gan: 410069 Rapaport, D. C.
Cyhoeddwyd: (2004)

Coarse-graining of condensed phase and biomolecular systems /
gan: Voth, Gregory A
Cyhoeddwyd: (2009)

Computer modelling of fluids polymers and solids
gan: NATO Advanced Study Institute on Computer Modelling of fluids Polymers and Solids (1988 : University of Bath, U.K.), et al.
Cyhoeddwyd: (1990)

Droplet condensation on the patterned surface: molecular dynamics simuation
gan: Goh, Jun Kang
Cyhoeddwyd: (2024)

Solubilisation of carbon nanotubes with a non-conjugated polymer for device applications
gan: Mazzotta, G
Cyhoeddwyd: (2018)

Optical spectroscopy of a single GaAs quantum ring
gan: Kim, H
Cyhoeddwyd: (2014)

Soft condensed matter physics in molecular and cell biology /
gan: Poon, W. C. K. (Wilson C. K.), et al.
Cyhoeddwyd: (2006)

Investigating carbon nanotube - polymer blends for organic solar cell applications
gan: Stranks, S
Cyhoeddwyd: (2011)

Active colloids and polymer translocation
gan: Cohen, J
Cyhoeddwyd: (2013)

Condensed matter physics : dynamics correlations /
gan: Lovesey, S. W. (Stephen W.)
Cyhoeddwyd: (1986)

Computer simulation studies in condensed-matter physics XVIII : Proceedings of the Eighteenth Workshop, Athens, Ga, USA, March 7-11, 2005 /
gan: Landau, D. P., et al.
Cyhoeddwyd: (2006)

Machine learning and molecular dynamics simulations aided insights into condensate ring formation in laser spot welding
gan: Ankit Roy, et al.
Cyhoeddwyd: (2024-12-01)

Improvement of Performance, Stability and Continuity by Modified Size-Consistent Multipartitioning Quantum Mechanical/Molecular Mechanical Method
gan: Hiroshi C. Watanabe
Cyhoeddwyd: (2018-07-01)

Study of the structure and dynamics of magnetic skyrmions
gan: Brearton, R
Cyhoeddwyd: (2021)

Energy transfer processes in organic molecular semiconductors
gan: Eggimann, H
Cyhoeddwyd: (2020)

Influence of dewetting on the crystallization behavior of CuCl₂ in the presence of BSA during evaporation in a Petri dish
gan: Nicolaas Busscher, et al.
Cyhoeddwyd: (2019-01-01)

MOLECULAR DYNAMICS STUDY OF THE KINETICS OF CuAu CLUSTERS FORMATION IN THE CONDENSATION PROCESS FROM HIGH TEMPERATURE GASEOUS PHASE
gan: V.S. Baidishev, et al.
Cyhoeddwyd: (2015-11-01)

Muon-spin relaxation and its application in the study of molecular quantum magnets
gan: Möller, JS
Cyhoeddwyd: (2013)

Thermophysical properties and condensation of R514A through molecular dynamics simulation
gan: Misbah Khan, et al.
Cyhoeddwyd: (2023-11-01)

Some Magnetic Reflections on Wave Dynamics
gan: Karenowska, A
Cyhoeddwyd: (2011)

Dynamics and correlations in quantum many-body systems
gan: Fava, M
Cyhoeddwyd: (2022)

Direct measurement of magnetic monopole charge and transport dynamics
gan: Hsu, C
Cyhoeddwyd: (2024)

Magnetic dynamics in iron-based superconductors probed by neutron spectroscopy
gan: Taylor, A
Cyhoeddwyd: (2013)

Formation and collapse of non-wetting cavities in soft porous media
gan: Paulin, OW
Cyhoeddwyd: (2023)

X-Ray Scattering of Polymers [electronic resource] /
gan: Stribeck, Norbert., et al.
Cyhoeddwyd: (2007)

Magnetotransport in graphene and related two-dimensional systems
gan: Huang, N
Cyhoeddwyd: (2016)

Finite temperature dynamical structure factors of low dimensional strongly correlated systems
gan: Goetze, W, et al.
Cyhoeddwyd: (2010)

Understanding soft condensed matter via modeling and computation /
gan: Hu, Wenbing, et al.
Cyhoeddwyd: (2010)

The hierarchic theory of liquids and solids : computerized applications for ice, water and biosystems /
gan: 289917 Kaivarainen, Alex
Cyhoeddwyd: (2008)

Universal scaling relations in molecular superconductors
gan: Pratt, F, et al.
Cyhoeddwyd: (2005)

Muon-fluorine entangled states in molecular magnets
gan: Lancaster, T, et al.
Cyhoeddwyd: (2007)

On-the-Fly Ring-Polymer Molecular Dynamics Calculations of the Dissociative Photodetachment Process of the Oxalate Anion
gan: Yukinobu Takahashi, et al.
Cyhoeddwyd: (2021-11-01)

Condensation and thermophysical properties of ethylene glycol + water using molecular dynamic simulations
gan: Misbah Khan, et al.
Cyhoeddwyd: (2025-06-01)

The structure and properties of matter/
gan: Matsubara, T.
Cyhoeddwyd: (1982)

Two-dimensional exciton behavior in GaN nanocolumns grown by molecular-beam epitaxy
gan: Na, J, et al.
Cyhoeddwyd: (2005)

A discussion for the formation of cassie droplet on nanostructured surface using molecular dynamics simulation
gan: Dong Niu, et al.
Cyhoeddwyd: (2021-06-01)

Polymers, liquids and colloids in electric fields : interfacial instabilities, orientation and phase transitions /
gan: Steiner, Ullrich, et al.
Cyhoeddwyd: (2009)

Molecular collisions in the interstellar medium /
gan: Flower, D. R. (David Roger), 1945-
Cyhoeddwyd: (2007)

Optical properties of condensed matter and applications /
gan: Singh, Jai
Cyhoeddwyd: (2006)

Condensed matter at the leading edge /
gan: Das, M. P.
Cyhoeddwyd: (2006)