Monday, February 16

8:30–10:00a Registration (Room 304)

9:00–10:00a Coffee and donuts (informal discussion in Conference Room 201)

10:00–10:05a David P. Landau (The University of Georgia)

Introductory Remarks

10:05–11:05a G. Brown (Florida State University)

“C++ and Generic Programming: Implementing New Simulations Quickly”

11:20–11:35a Robert Endres (Oak Ridge National Laboratory)

“Toward an Atomistic Model for Predicting Transciption – Factor Binding Site”

11:50a–12:05p Stefan Böttcher (Emory University)

“Ground States and Low-energy Excitations of Very Large Lattice Spin Glasses

in d=3 to d=7”

12:15p Lunch

2:00–3:00p Erik Luijten (University of Illinois, Urbana-Champaign)

“Geometric Cluster Algorithm for Interacting Fluids”

3:15–3:30p Uli Hansmann (Michigan Technological University

“Structural Transitions in Proteins”

3:45-4:00p Laura Juvonen (Helsinki University of Technology)

“Simulations of Islands and Vacancy-line Structures on Si/Ge-covered

Si (001)”

4:15-4:30p Jai Sam Kim (Pohang University of Science and Tech)

“Simulation of ZnSe Coating on a CdSe Substrate: The Electronic Structure

and Absorption Spectra of CdSe/ZnSe Films”

4:45-5:00p Mark Novotny (Mississippi State University)

“Small-World Nanomaterials---Only a Dream?”

Tuesday, February 17

9:00–10:00a Coffee and donuts (informal discussion) (Conference Room 201)

10:00–11:00a Dennis Rapaport (Bar-Ilan University)

“Shake, Rattle or Roll: Things to Do with a Granular Mixture on a Computer”

11:15–11:30a Volkan Sevim (Florida State University)

“A Biological Coevolution Model with Correlated Individual-based Dynamics”

12:00 Noon Lunch

2:00–3:00p Ying Xu (The University of Georgia)

“Computational Methods for Protein Structure Prediction”

3:15-3:30p Steven Mitchell (Eindhoven Technical University)

“Br Electrodeposition on Au(100): from DFT to Experiment,

an Off-lattice Model”

3:45 – 4:00p Zuheir El-bayyari (Philadelphia University)

“A Comparison Study of 3-5 Atom Clusters of Ni, Pd, Pt, and Pb:

A Molecular-dynamics Computer Simulation”

4:15-4:30p Joan Adler (Technion)

“Visualizing Vector Spins with AViz”

4:45-5:00 Francesca Tavazza (NIST)

“A Hybrid First Principles-MC Algorithm for the Investigation

of Dislocation Properties”

Wednesday, February 18

9:00–10:00a Coffee and donuts (informal discussion) (Conference Room 201)

10:00–11:00a Bo Zheng (Zhejiang University)

“Numerical Simulations of Critical Dynamics Far from Equilibrium”

11:15–11:30a Hans Gerd Evertz (Techn.Univ.Graz)

“Spin Polarons in the FM Kondo Model”

11:45a–12:00 Noon Hisashi Okumura (Institute for Molecular Science)

“Multibaric-Multithermal Ensemble Simulations for Lennard-Jones Liquids”

12:15p Lunch

2:00–2:15p Takashi Shimada (The University of Tokyo)

“An Iimage Recognition Algorithm for Automatic Counting of Brain Cells

of Fruitfly”

2:30-2:45p Stefan Frank (Florida State University)

“Stochastic Collision Molecular Dynamics Simulations for Ion Transfer

Across Liquid-liquid Interfaces”

3:00–3:15p Peter Virnau (Massachusetts Institute of Technology)

“Successive Umbrella Sampling: A New Approach to Sample and Overcome

Free Energy Barriers”

3:30-4:30p Thomas Prellberg (Technishe UniversitätClausthal)

“A Flat Histogram Stochastic Growth Algorithm”

4:45-5:00p Qin Zhang (The University of Georgia)

“Structure and Stability of Titanium-Carbide Nanocrystals”

5:15-5:30p Matthias Troyer

“Wang-Landau Sampling: From Classical to Quantum Systems and Back

7:00–8:30p Workshop Reception [Dean Rusk Hall, 4th Floor Reception Hall ( see map in folder)]

Thursday, February 19

9:00–10:00a Coffee and donuts (informal discussion) (Conference Room 201)

10:00-11:00a John Shumway (Arizona State University)

“All-Electron Path Integral Monte Carlo for Small Atoms and Molecules”

11:15-12:15 Dong Chen (IBM)

“The BlueGene/L Supercomputer”

12:30p Lunch

2:00-2:15 Sam Thompson (Florida State University)

“Projective Dynamics in Realistic Models of Nanomagnets”

2:30-2:45 Satoshi Yukawa (The University of Tokyo)

“A New Method of Investigating Equilibrium Properties from Nonequilibrium

Work”

3:00-4:00p Adrian Sutton (University of Oxford)

“Including Long-range Interactions in Atomistic Modeling of Diffusional Phase

Changes”

4:15–5:15p Richard Vink (Johannes Gutenberg-Universität Mainz)

“Entropy Driven Phase Separation”

Friday, February 20

9:00–9:30a Coffee and donuts (informal discussion) (Conference Room 201)

9:30-9:45a Chenggang Zhou (Princeton University)

“Convergence and Errors of the Wang-Landau Algorithm”

10:00-11:00a Talat Rahman (Kansas State University)

“Towards a Self-teaching Approach to the Kinetic Monte Carlo Method”

11:15-12:15 Noon Ryoichi Yamamoto (Kyoto University)

“Supercooled Liquids under Shear” Computational Approach”

12:30p David P. Landau (The University of Georgia)

Closing Remarks