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Carande, Wendy Hawley Professional Research Asst

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Research Areas research areas

Research

research overview

  • Dr. Carande is currently developing a predictive algorithm for critical properties and acentric factors of pure compounds. Her postdoctoral work also includes the production of an automated, substructure-based procedure for the optimization of force-field parameters used in Monte Carlo molecular simulations.

keywords

  • computational physics, high performance computing, molecular modeling, quantum chemistry, Monte Carlo simulations, quantitative structural properties relationships, machine learning

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