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Filtering by: Creator Schwandt, John W. Advisor Roundy, David J. License Attribution 4.0 (CC BY 4.0)

Freezing a Softly Repulsive Fluid : Monte Carlo Methods and the Weeks-Chandler-Andersen Potential

Creator:

May, Christopher

Abstract:

The equation of state for a fluid described by the Weeks-Chandler-Andersen (WCA) potential was solved to determine at what pressures and temperatures the fluid will theoretically freeze. A Monte Carlo (MC) algorithm was used to sample a system of 256 spheres for a set of thermodynamic averages to locate and...

Resource Type:

Undergraduate Thesis

Full Text:

and led to a series of articles written by John Weeks, David Chandler, and Hans Andersen describing a
Simulating the Dynein Motor Protein: A Monte Carlo Approach to Achieve Coordinated Stepping

Creator:

Kiatvongcharoen, Jin

Abstract:

The motor protein dynein is responsible for cellular processes such as axonal transport and cell division by delivering vital information along the microtubule track. A failed delivery can cause severe damage to the cell’s functionality and lead to neurological diseases. Despite dynein’s rich history in cellular research, the mechanism of...

Resource Type:

Undergraduate Thesis

Full Text:

processes. Researchers John Waczak and Elliott Capek suc- cessfully incorporated this model under an angle
Practical Mechanically Interlocked Molecules: A Model of Gas Adsorption in Metal OrganicFrameworks Harboring Rotaxane Molecular Shuttles

Creator:

Carney, Jonathan

Abstract:

Metal organic frameworks(MOFs) are a class of crystalline materials utilized in gas storage, chemicalsensing, and other engineering applications. Recently chemists have begun synthesizing MOFs withmoving parts in order to further these applications. A wide array of dynamic MOFs have been created andtheorized. Among them is the interlocking of a ring...

Resource Type:

Undergraduate Thesis