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Publications by Rafael Gómez-Bombarelli

Coarse-Graining Auto-Encoders for Molecular Dynamics

npj Computational Materials

Mechanics of Materials

Materials Science

Computer Science Applications

English

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The Multiscale Coarse-Graining Method. II. Numerical Implementation for Coarse-Grained Molecular Models

Journal of Chemical Physics

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English

Introduction: Coarse-Graining in Molecular Modeling and Simulation

Journal of Chemical Theory and Computation

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Computer Science Applications

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Coarse Graining Hadronic Scattering

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Stochastic Thermodynamics Under Coarse Graining

Physical Review E

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A Coarse Graining Method for the Identification of Transition Rates Between Molecular Conformations

Journal of Chemical Physics

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Information Loss Under Coarse Graining: A Geometric Approach

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Nonlinear Physics

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Peridynamics as a Rigorous Coarse-Graining of Atomistics for Multiscale Materials Design.

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Deformation Operators of Spin Networks and Coarse-Graining

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Coupled Coarse Graining and Markov Chain Monte Carlo for Lattice Systems

Lecture Notes in Computational Science and Engineering

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English