Showing 2,441 - 2,460 results of 7,651 for search 'programs computational', query time: 0.12s Refine Results
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    JAX-BTE: a GPU-accelerated differentiable solver for phonon Boltzmann transport equations by Wenjie Shang, Jiahang Zhou, J. P. Panda, Zhihao Xu, Yi Liu, Pan Du, Jian-Xun Wang, Tengfei Luo

    Published 2025-05-01
    “…Abstract This paper introduces JAX-BTE, a GPU-accelerated, differentiable solver for the phonon Boltzmann Transport Equation (BTE) based on differentiable programming. JAX-BTE enables accurate, efficient and differentiable multiscale thermal modeling by leveraging high-performance GPU computing and automatic differentiation. …”
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    SPACIER: on-demand polymer design with fully automated all-atom classical molecular dynamics integrated into machine learning pipelines by Shun Nanjo, Arifin, Hayato Maeda, Yoshihiro Hayashi, Kan Hatakeyama-Sato, Ryoji Himeno, Teruaki Hayakawa, Ryo Yoshida

    Published 2025-01-01
    “…However, the enormous computational costs and technical challenges of automating computer experiments for polymeric materials have limited the availability of open-source automated polymer design systems that integrate molecular simulations and machine learning. …”
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    Nonparametric serial interval estimation with uniform mixtures. by Oswaldo Gressani, Niel Hens

    Published 2025-08-01
    “…Algorithms underlying our approach are simple, stable, and computationally inexpensive, making them easily implementable in a programming language that is most familiar to a potential user. …”
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    Anxiety-Like Behavioural Inhibition Is Normative under Environmental Threat-Reward Correlations. by Dominik R Bach

    Published 2015-12-01
    “…Harnessing a virtual computer game, we test model predictions in four experiments with human participants. …”
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