David Roundy

David Roundy

Curriculum Vitae and publication list (total citations > 3000)

Graduate Students

Jordan Pommerenk

Jordan Jordan is leading the development of Monte-Carlo algorithms and their application to liquid-vapor systems. Current project goals include:

  1. Compare the accuracy and convergence of various algorithms at predicting the density of states for square-well fluid.
  2. Formulate and develop new algorithms, as well as, make significant/substantial modifications to existing algorithms.
  3. Apply histogram methods to multiple ensembles including both canonical and grand-canonical.

Jordan is also studying the adsorption of gasses into adsorbates such as metal-organic frameworks

Kirstie Finster
Kirstie Kirstie is exploring the fluid-solid phase diagram of a Weeks-Chandler-Anderson (WCA) fluid. A WCA fluid is a model fluid with a soft-sphere potential in which the spheres, or "atoms", exhibit repulsion, but no attraction. She is using code that applies Soft Fundamental Measure Theory (SFMT), a classical density functional theory for soft spheres, to the WCA fluid to investigate crystallization.

Undergraduate Students

Jin Kiatvongcharoen
Continuing the work on the dynein motor protein. He is implementing a Monte Carlo analysis that is more efficient than the brownian dynamics.
Jacob Vande Griend
Grand canonical broad histogram methods.


John Waczak
John John is studying the dynein motor protein. He is working to determine the values of physical parameters for the 2 dimensional simulation of the dynein protein.
Cade Trotter
Trotter Two-dimensional grand canonical broad histogram methods.
Sean McDonough
Studied the hydrodynamics of surfboards.
Lahiru Fernando
Roo A thermodynamics description of economics
Elliott Capek
Elliott Elliott is working on a Brownian dynamics simulation of a model of the dynein motor protein. The goal of this project is to test if a prestroke/poststroke hypothesis for stepping is sufficient to explain how dynein walks. The project involves deriving motion equations for a simplified dynein model, writing C++ simulation code, then fitting model parameters to experiment.
Chris May
Examining the freezing transition in the Weeks-Chandler-Anderson fluid using Monte Carlo.
Tanner Simpson
Tanner Broad histogram Monte Carlo methods
Patrick Flynn
Grand canonical broad histogram methods
Brenden Vischer

Brenden B.S. 2016

The free energy of a liquid

Brenden studied the free energy of the square well fluid using Monte Carlo simulations.

Ryan Scheirer

Ryan M.S. 2016

Exploring Phase Equilibrium with Statistical non-Associating Fluid Theory: A Generalized Renormalization Group Theory Approach

Billy Geerhart III

M.S. 2016

Finding the arbitrary parameter $L$ in Renormalization Group Theory via fitting Monte Carlo simulations to Statistical Associating Fluid Theory

Eric Krebs

Eric Krebs Ph.D. 2015

Theory of inhomogeneous fluids

Eric began at Oregon State in the fall of 2010, and began by working on a classical density functional for water. He improved our functional for water to benefit from Jeff's work on the hard-sphere distribution function at contact. He also worked on developing a functional based on Soft Fundamental Measure Theory for not-quite-hard spheres.

Austin Valeske

B.S. 2015

Determining free energies of hard sphere fluids via Monte Carlo simulation

Patrick Kreitzberg

Patrick Kreitzberg B.S. 2015

Monte Carlo simulations for a soft sphere fluid

Michael Perlin

Michael B.S. 2015

Optimizing Monte Carlo simulation of the square-well fluid

Josh Montegna

B.S. 2015

Determining the effective entropy of a visual hash system

Jeff Schulte

Jeff Schulte Ph.D. 2015

Hard spheres within classical density functional theory and Min proteins within Escherichia Coli

Jeff has studied the inhomogeneous hard sphere fluid, and developed a functional describing the likelihood of finding spheres in contact as a function of position. He then developed a simulation of min-D oscillations in bacteria, and a theory for the pair distribution function of the inhomogeneous hard-sphere fluid.

Daniel Roth

M.S. 2014

Applying Renormalization Group Theory to the Square Well Liquid

Paho Lurie-Gregg

Paho Lurie-Gregg B.S. 2014

The contact value approximation to the pair distribution function for an inhomogeneous hard sphere fluid

Paho also worked on Monte Carlo simulations of hard-polyhedron fluids.

Rene Zeto
B.S. 2014
Testing the model for Min D protein oscillations in Escherichia coli
Denny Jackson

Denny Ph.D. 2011

An Ising-like model to predict the dielectric properties of the relaxor ferroelectric solid solution $\text{BaTiO}_3\text{-Bi(Zn}_{\frac12}\text{Ti}_{\frac{1}{2}})\text{O}_3$

Chris Haglund

Chris Haglund Switched majors to Earth Science

Chris joined us in his sophomore year, and from 2011 to 2012 wrote our first Monte Carlo code to simulate the hard sphere fluid and find the probability of contact.

Murray Wade

B.S. 2012

Creating a Thermodynamics Simulation Using the Ising Model: A Microcanonical Monte Carlo Approach

Jessica Hughes

Jess M.S. 2011

A Classical Density-Functional Theory for Describing Water Interfaces

Michael Nielson
B.S. 2010
Modeling the linear response function for broad frequency sound generation
Steve Brinkley

B.S. 2010

Measuring the Acoustic Response Function with White Noise

Jason Dagit

Jason Computer Science M.S. 2009

Type Correct Changes—A Safe Approach to Version Control Implementation

Jason got a Masters degree in Computer Science, working on the patch theory of darcs and ensuring its proper use via type witnesses.