[go: up one dir, main page]
More Web Proxy on the site http://driver.im/

Tang et al., 2006 - Google Patents

Microscopic simulations of molecular cluster decay: Does the carrier gas affect evaporation?

Tang et al., 2006

View PDF
Document ID
1089248094854667280
Author
Tang H
Ford I
Publication year
Publication venue
The Journal of chemical physics

External Links

Snippet

We develop a kinetic theory of cluster decay by considering the stochastic motion of molecules within an effective potential of mean force (PMF) due to the cluster. We perform molecular dynamics simulations on a 50-atom argon cluster to determine the mean radial …
Continue reading at discovery.ucl.ac.uk (PDF) (other versions)

Classifications

    • G—PHYSICS
    • G06—COMPUTING; CALCULATING; COUNTING
    • G06F—ELECTRICAL DIGITAL DATA PROCESSING
    • G06F17/00—Digital computing or data processing equipment or methods, specially adapted for specific functions
    • G06F17/30—Information retrieval; Database structures therefor; File system structures therefor
    • G06F17/30286—Information retrieval; Database structures therefor; File system structures therefor in structured data stores
    • G06F17/30587—Details of specialised database models
    • G—PHYSICS
    • G06—COMPUTING; CALCULATING; COUNTING
    • G06F—ELECTRICAL DIGITAL DATA PROCESSING
    • G06F17/00—Digital computing or data processing equipment or methods, specially adapted for specific functions
    • G06F17/50—Computer-aided design
    • G06F17/5009—Computer-aided design using simulation
    • G06F17/5018—Computer-aided design using simulation using finite difference methods or finite element methods
    • G—PHYSICS
    • G06—COMPUTING; CALCULATING; COUNTING
    • G06F—ELECTRICAL DIGITAL DATA PROCESSING
    • G06F17/00—Digital computing or data processing equipment or methods, specially adapted for specific functions
    • G06F17/30—Information retrieval; Database structures therefor; File system structures therefor
    • G06F17/30067—File systems; File servers
    • G—PHYSICS
    • G06—COMPUTING; CALCULATING; COUNTING
    • G06F—ELECTRICAL DIGITAL DATA PROCESSING
    • G06F17/00—Digital computing or data processing equipment or methods, specially adapted for specific functions
    • G06F17/30—Information retrieval; Database structures therefor; File system structures therefor
    • G06F17/30861—Retrieval from the Internet, e.g. browsers
    • G—PHYSICS
    • G06—COMPUTING; CALCULATING; COUNTING
    • G06F—ELECTRICAL DIGITAL DATA PROCESSING
    • G06F17/00—Digital computing or data processing equipment or methods, specially adapted for specific functions
    • G06F17/10—Complex mathematical operations
    • G—PHYSICS
    • G06—COMPUTING; CALCULATING; COUNTING
    • G06F—ELECTRICAL DIGITAL DATA PROCESSING
    • G06F19/00—Digital computing or data processing equipment or methods, specially adapted for specific applications
    • G06F19/70—Chemoinformatics, i.e. data processing methods or systems for the retrieval, analysis, visualisation, or storage of physicochemical or structural data of chemical compounds
    • G06F19/708—Chemoinformatics, i.e. data processing methods or systems for the retrieval, analysis, visualisation, or storage of physicochemical or structural data of chemical compounds for data visualisation, e.g. molecular structure representations, graphics generation, display of maps or networks or other visual representations
    • G—PHYSICS
    • G06—COMPUTING; CALCULATING; COUNTING
    • G06F—ELECTRICAL DIGITAL DATA PROCESSING
    • G06F19/00—Digital computing or data processing equipment or methods, specially adapted for specific applications
    • G06F19/70—Chemoinformatics, i.e. data processing methods or systems for the retrieval, analysis, visualisation, or storage of physicochemical or structural data of chemical compounds
    • G06F19/701—Chemoinformatics, i.e. data processing methods or systems for the retrieval, analysis, visualisation, or storage of physicochemical or structural data of chemical compounds for molecular modelling, e.g. calculation and theoretical details of quantum mechanics, molecular mechanics, molecular dynamics, Monte Carlo methods, conformational analysis or the like
    • G—PHYSICS
    • G06—COMPUTING; CALCULATING; COUNTING
    • G06F—ELECTRICAL DIGITAL DATA PROCESSING
    • G06F2217/00—Indexing scheme relating to computer aided design [CAD]
    • G06F2217/16—Numerical modeling
    • G—PHYSICS
    • G06—COMPUTING; CALCULATING; COUNTING
    • G06F—ELECTRICAL DIGITAL DATA PROCESSING
    • G06F17/00—Digital computing or data processing equipment or methods, specially adapted for specific functions
    • G06F17/20—Handling natural language data
    • G—PHYSICS
    • G06—COMPUTING; CALCULATING; COUNTING
    • G06F—ELECTRICAL DIGITAL DATA PROCESSING
    • G06F19/00—Digital computing or data processing equipment or methods, specially adapted for specific applications
    • G06F19/10—Bioinformatics, i.e. methods or systems for genetic or protein-related data processing in computational molecular biology
    • G06F19/16—Bioinformatics, i.e. methods or systems for genetic or protein-related data processing in computational molecular biology for molecular structure, e.g. structure alignment, structural or functional relations, protein folding, domain topologies, drug targeting using structure data, involving two-dimensional or three-dimensional structures

Similar Documents

Publication Publication Date Title
Abel et al. Linearized model Fokker–Planck collision operators for gyrokinetic simulations. I. Theory
Sharma et al. Unified equation of state for neutron stars on a microscopic basis
Lamoureux et al. Modeling induced polarization with classical Drude oscillators: Theory and molecular dynamics simulation algorithm
Kim et al. Momentum injection by supernovae in the interstellar medium
Goldbaum et al. Mass transport and turbulence in gravitationally unstable disk galaxies. I. The case of pure self-gravity
Bulgac et al. Canonical ensemble averages from pseudomicrocanonical dynamics
Lechner et al. Equilibrium free energies from fast-switching trajectories with large time steps
Heo et al. Phase-field modeling of nucleation in solid-state phase transformations
Angélil et al. Properties of liquid clusters in large-scale molecular dynamics nucleation simulations
Hyeon-Deuk et al. Communication: Quantum molecular dynamics simulation of liquid para-hydrogen by nuclear and electron wave packet approach
Camps et al. Effects of Spatial Discretization in Lyα Line Radiation Transfer Simulations
Moučka et al. Chemical potentials of alkaline earth metal halide aqueous electrolytes and solubility of their hydrates by molecular simulation: Application to CaCl2, antarcticite, and sinjarite
Held et al. Padé-based arbitrary wavelength polarization closures for full-F gyro-kinetic and-fluid models
Sutherland et al. Nuclear quantum effects in thermal conductivity from centroid molecular dynamics
Hung et al. Dynamic information for cardiotoxin protein desorption from a methyl-terminated self-assembled monolayer using steered molecular dynamics simulation
Yu Quasi-unary homogeneous nucleation of H2SO4‐H2O
Poltavsky et al. Perturbed path integrals in imaginary time: Efficiently modeling nuclear quantum effects in molecules and materials
Nasiri et al. Benchmark calculations of the energy spectra and oscillator strengths of the beryllium atom
Tang et al. Microscopic simulations of molecular cluster decay: Does the carrier gas affect evaporation?
Michel Irreversible Markov chains by the factorized Metropolis filter: algorithms and applications in particle systems and spin models
Álvarez-Galera et al. Nucleation of helium in pure liquid lithium
Vanya et al. Invariance of experimental observables with respect to coarse-graining in standard and many-body dissipative particle dynamics
Hall et al. Uncertainty quantification for generalized Langevin dynamics
Rodrigues et al. Phase diagrams of alkali halides using two interaction models: A molecular dynamics and free energy study
Orkoulas et al. Communication: A simple method for simulation of freezing transitions