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Computational Molecular Design and Innovation : from Drug Discovery to Emerging Contaminants

Computational Molecular Design and Innovation : from Drug Discovery to Emerging Contaminants

Text (2021)

Part of Electronic Theses & Dissertations

Application of free energy methods to drug discovery

Application of free energy methods to drug discovery

Song, Lin, 1992-

Text (2020)

Part of Electronic Theses & Dissertations

Optimizing and Improving the Fidelity of Reactive, Polarizable Molecular Dynamics Simulations on Modern High Performance Computing Architectures

Optimizing and Improving the Fidelity of Reactive, Polarizable Molecular Dynamics Simulations on Modern High Performance Computing Architectures

O'Hearn, Kurt A.

Text (2022)

Part of Electronic Theses & Dissertations

Single-Reference Coupled-Cluster Methods for Strongly Correlated Systems

Single-Reference Coupled-Cluster Methods for Strongly Correlated Systems

Magoulas, Ilias

Text (2021)

Part of Electronic Theses & Dissertations

Approaching exact quantum chemistry by stochastic wave function sampling and deterministic coupled-cluster computations

Approaching exact quantum chemistry by stochastic wave function sampling and deterministic coupled-cluster computations

Deustua Stahr, Jorge Emiliano

Text (2020)

Part of Electronic Theses & Dissertations

Computational chemistry : investigations of protein-protein interactions and post-translational modifications to peptides

Computational chemistry : investigations of protein-protein interactions and post-translational modifications to peptides

Jones, Michael R. (Graduate of Michigan State University)

Text (2017)

Part of Electronic Theses & Dissertations