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Inside materials computation — the many electron problem
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Molecular dynamics exploration of new materials and phenomena – how can we quantify uncertainties?
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Leveraging massive parallelism to extend atomistic simulation timescales
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Spatial and Temporal Multiscale Models for Addressing the Integrated Computational Structure-Materials Engineering Initiative
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Using molecular dynamics to understand the complexity of grain boundaries
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Materials Data Facility: A distributed model for the materials data community
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OpenKIM: Tested portable interatomic models for molecular and multiscale simulations
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