Computational statistical mechanics leans heavily on the class of Markov Chain Monte Carlo Algorithms. Many such algorithms exist, and simulations can run for several weeks, making the selection of algorithms a difficult, but critical task. In this work, we introduce a benchmark system of two quadratic wells with an analytical...
Marching band activities consist of both physically and cognitively demanding tasks. The demands that this activity has on players has largely been unstudied. The goal of this study was to investigate the effects of players’ experience level, role, and gender on the workload of marching band players via a field...
A method for determining bandgap energy using diffuse reflection is presented. The method uses bifurcated fiber optic cables to measure the diffuse reflection of diffusely reflective materials. The absorption spectrum is extrapolated from the diffuse reflection spectrum and used to determine the bandgap of powdered materials. The theory of nonspecular...
Cyanobacteria represent an underexploited source of bioactive natural products of interest to the pharmaceutical industry. Lack of development of these compounds as drug leads is due mainly to myriad practical problems with the producing strains including long doubling times, genetic intractability, and low compound yields. Previous attempts at heterologous expression...
We identify and develop efficient Monte Carlo methods for determining thermodynamic properties of the square-well fluid in order to test square-well density functional theories near the critical point. Previous works have developed generic so-called histogram methods for collecting statistics on low energy system states, but little or no literature exists...
In the face of increasing demand for and reduced supplies of water, methods to augment water supply and storage capacity are becoming increasingly important. In some areas, this has taken the form of aquifer storage and recovery (ASR), which involves injecting water into a well during a time of water...
Chilean society has been changing rapidly for the last few decades during a time of rapid economic growth. Some sociological and economical analyses state that when a nation grows, inequality between the rich and poor grows too, leaving the poor behind. The Chilean economy is the most rapidly growing in...
Thermodynamic properties of systems are often investigated computationally. Traditionally, thermal physics simulations are limited by their very small energy ranges and slow convergence. Broad histogram algorithms are a class of Monte Carlo algorithms that can explore an entire energy (and temperature) range in one thermal physics simulation: potentially saving months...
Monte Carlo methods are used to explore vapor-liquid phase transitions. However, current models are computationally expensive when identifying these phase transitions. Traditionally, Monte Carlo simulations are run across a range of temperatures at a fixed number of atoms/molecules. The Number Monte Carlo method (NMC), our proposed Monte Carlo method, runs...