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Full-Text Articles in Physics
Probability Distributions Of The Scalar Potential, Candace Mathews
Probability Distributions Of The Scalar Potential, Candace Mathews
Legacy Theses & Dissertations (2009 - 2024)
In the study of cosmological inflation, string theory and supersymmetry have motivated a wide range of possible inflationary models. These models can be parameterized by a scalar potential V, which is a function of N scalar fields, and determines cosmological parameters such as the vacuum stability and energy density. In principle, we can determine V through high energy physics, such as string theory. In practice, though we may not know the details of V we might have clues about a distribution of plausible V’s, which we can build statistics on to further analyze. The purpose of this thesis defense is …
Turning Density Functional Theory Calculations Into Molecular Mechanics Simulations : Establishing The Fluctuating Density Model For Rna Nucleobases, Christopher A. Myers
Turning Density Functional Theory Calculations Into Molecular Mechanics Simulations : Establishing The Fluctuating Density Model For Rna Nucleobases, Christopher A. Myers
Legacy Theses & Dissertations (2009 - 2024)
Molecular mechanics (MD) simulations and density functional theory (DFT) have been the backbone of computational chemistry for decades. Due to its accuracy and computational feasibility, DFT has become the go-to method for theoretically predicting interaction energies, polarizability, and other electronic properties of small molecules at the quantum mechanical level. Although less fundamental than DFT, molecular mechanics (MM) algorithms have been just as influential in the fields of biology and chemistry, owing their success to the ability to compute measurable, macroscopic quantities for systems with tens of thousands to hundreds of thousands of atoms at a time. Nevertheless, MD simulations would …