Quantum Molecular Dynamics Simulations of Materials
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Publications
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Jump to search filtersTime-Dependent Density Functional Theory of Extreme Environments
Abstract not provided.
Quantum Monte Carlo Simulation of van der Waals Systems
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QMD simulations to develop EOS models
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The phase diagram and transport properties of MgO from theory and experiment
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Status of DMC for condensed phases
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Phase Transitions of MgO Along the Hugoniot
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Ab initio transport properties of warm dense MgO
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From Z to Planets
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Time-Dependent Density Functional Theory of Extreme Environments
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Improving the accuracy of diffusion Monte Carlo: Insights from calculations of high pressure solid-solid phase transitions
Abstract not provided.
Time-Dependent Density Functional Theory of Extreme Environments
Abstract not provided.
Development of quantum Monte Carlo techniques for high fidelity determination of materials properties at extreme conditions
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High Accuracy electronic structure for EOS development
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QMD simulations to develop electrical conductivity models
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Equation of State of Cryogenic Liquid Noble Gases
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Perspectives on plasma simulation techniques from the IPAM quantum simulation working group
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Examination of the high pressure - temperature behavior of MgO by shock compression and first principles calculations
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Quantum Monte Carlo applied to solids under pressure
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Modeling experiments on Z where chemistry matters: polymers CO2 and explosives
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A global address space approach to data management for quantum Monte Carlo simulation of van der Waals Systems
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Density Functional Theory (DFT) simulations of CO2 under shock compression and design of liquid CO2 experiments on Z
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Applications of quantum Monte Carlo to materials at extreme conditions
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Using PWSCF and QMCPACK to perform total energy calculations of condensed systems
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Shock Compression of MgO
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Results 126–150 of 156