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We are developing TINC, a new toolkit for interactive computation and visualization, applying it to materials simulations approaches, interfacing this toolkit with the software package CASM, designed to enable first-principles statistical mechanics studies of complex crystalline materials through a custom application built on top of TINC. TINC is being developed for a fundamental study of ion transport and intercalation processes in the electrode materials of sodium (Na) ion batteries. TINC ties computation and display to data through user interaction, a general-purpose platform useful in different domains. Researchers performed rapid iterations of Grand Canonical and Kinetic Monte Carlo simulations generated on the HPC cluster, facilitating verification of simulations in a near-to-real-time environment, a faster path to insight and validation. TINC can analyze data generated with Bayesian learning tools such as STAN. Bayesian regression is used in all disciplines of engineering.
toolkit for interactive computation, cyberinfrastructure for materials simulation research, computational framework for materials simulations, Interactive computation, visualization, and sonification, interactive computation, visualization and sonification, toolkit for interactive computation, python/c++
toolkit for interactive computation, cyberinfrastructure for materials simulation research, computational framework for materials simulations, Interactive computation, visualization, and sonification, interactive computation, visualization and sonification, toolkit for interactive computation, python/c++
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