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Coarse-grained force fields
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Preprint: (Post et al 2026) - Ab initio parametrization of distributed...
We propose a first-principles based parameterization procedure for atomic polarizability tensors and scalars, validated on a set of small set of organic molecules with...
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Publication: De Karmakar & Speck (2024) J. Chem. Phys. 161, 234907
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