Research Highlights
2006 - 2007
Research:
- 8/15/2007 Accurate Semi-Empirical Quantum Chemistry via Evolutionary Algorithms (Duane Johnson, Todd Martinez, and David Goldberg and Students: Kumara Sastry and Alexis Thompson, PPT 440Kb)
- 5/21/2007 Colloidal Effects in Sedimentation (E. Luijten; Graduate Students: J. Whitmer, PPT 400Kb)
- 9/11/2007 Experimental evidence for mixed reality states in inter-reality systems (Alfred Hubler and Student: Vadas Gintautas, PPT 3.8MB)
- 9/11/2007 Quantum Monte Carlo Applications for Petascale Computers (D.M. Ceperley and J. Kim, PPT 840Kb )
- 9/11/2007 Realistic Computational Approaches for Coupled Quantum Dots (Jean-Pierre Leburton and Richard Martin; Postdoc: D.V. Melnikov, Students: Jihan Kim, PPT 680Kb)
- 9/19/2007 Determination of intrinsic switching field distribution in perpendicular recording media: ΔH(M, ΔM) method (Karin A. Dahmen, Andreas Berger (nanoGUNE, Spain) and Student: Yang Liu) 448Kb
- 9/19/2007 Surprisingly similar scaling in and out of equilibrium: disordered magnets (Karin A. Dahmen and Student: Yang Liu) 932 Kb
- 9/19/2007 New Optimization Methods for Electronic Excited States (Todd J. Martínez) 1.3 MB
Outreach:
- 9/13/2007 Travel Award Program for Young Scientists (David Ceperley, PPT 668Kb)
- 9/14/2007 Summer School on Computational Materials Science (PPT 2.9MB)
2005 - 2006
All Highlights (.zip, 33.3MB) Posted 12/12/2006, 3:41pm
Research:
- Accurate Semi-Empirical Quantum Chemistry via Evolutionary Algorithms (D. D. Johnson, T. J. Martinez, D.E. Goldberg; Graduate Students: K. Sastry, A. Thompson, J. Leiding, and J. Owens, PPT 400Kb) (Posted 9/29/2006)
- Crackling Noise: From Magnets to Earthquakes (K. Dahmen, PPT 3.97MB) (Posted 11/2/2006)
- Cyberinfrastructure for Computational Materials Science (J. Kim, PPT 834Kb) (Posted 11/2/2006)
- Krylov Space Approximations for Materials Science Problems (E. de Sturler, et al.; PPT 536Kb) (Posted 9/28/2006)
- Numerical Analysis Aspects of the Quantum Monte Carlo Method and Other Materials Computations (E. de Sturler, PPT 5.83MB) (Posted 11/2/2006)
- Transporting Molecules and Ions Through Small Pores (E. Luijten, PPT 724Kb) (Posted 10/24/2006)
Research, presented by students:
- Approach Toward Linear Time Quantum Monte Carlo: Talk (B. Clark, PPT 1 MB) (Posted 11/2/2006)
- Atomistic-to-continuum coupling via a Spacetime Discontinuous Galerkin framework (B. Kraczek , PPT 1.7MB) (Posted 11/2/2006)
- Fast and Accurate Reaction Dynamics via Multiobjective Genetic Algorithm Optimization of Semiempirical Potentials (K. Sastry and A. Thompson, PPT 1.6 MB, PDF 348Kb) (Posted 11/2/2006)
- Generic Object Oriented Path Integral Code (B. Clark, PPT 1.4 MB) (Posted 11/2/2006)
- Nonlinear Resonant Forcing of Dynamical Systems (G. Foster, PPT 228 Kb) (Posted 11/2/2006)
- Spintronics in Coupled Triple Quantum Dots (J. Kim, PPT 2.5 MB) (Posted 11/2/2006)
- Studying optical response with time dependent density functional theory (B. Levine, PPT 7.5 MB) (Posted 11/2/2006)
- Surprisingly similar scaling in and out of equilibrium: random field Ising model (Y. Liu, PPT 7.9 MB) (Posted 11/2/2006) Video 1 and Video 2 (.mpg)
Education and Outreach:
- Summer School on Computational Materials Science (T. Martínez, D. Ceperley, J. Kim; PPT 1.3MB) (Posted 9/28/2006, Updated 12/12/2006)
- Travel Award Program for Young Scientists (D. Ceperley; PPT 864Kb) (Posted 9/29/2006)
- Visitor Program (R. Martin; PPT 756Kb) (Posted 11/2/2006)
2004 - 2005
Research:
- Accurate Quantum Chemistry via Machine-Learning & Evolutionary Algorithms (D. Johnson; PPT 169Kb ) (Posted 8/28/2005)
- Dynamics of Disordered Nonequilibrium Systems: Hysteresis, Noise, and Domain Wall: Dynamics in Systems Ranging from Magnets to Earthquakes (K. Dahmen; PPT 18 3Kb ) (Posted 8/28/2005)
- Electron Phonon Interactions in C28-derived Solids (R. Martin) PPT 140Kb (Posted 9/2/2005)
- Hijacking Game Consoles for Molecular Modeling (T. Martinez; PPT 752Kb) (Posted 9/1/2005)
- Multiscale Methods: Polymeric and Polyelectrolytic Materials (E. Luijten; PPT 149Kb ) (Posted 8/28/2005; updated 9/1/2005)
- Nanoscale Patterning of Chemical Order Induced By Ion Beam Processing (P. Bellon; PPT 936Kb) (Posted 9/1/2005)
- New Monte Carlo Method for Interacting Electrons in Quantum Dot Devices (R. Martin; 259Kb) (Posted 9/ 1/2005, Minor text updates 9/2/2005)
- Quantum Monte Carlo Portal Development (J. Kim; PPT 364Kb) (Posted 9/1/2005)
- Spintronics in Triple Quantum Dots (J.-P. Leburton, PPT 1.2MB ) (Posted 8/28/2005)
- The Growth of Fractal Transportation Networks (A. Hubler; PPT 457Kb ) (Posted 8/28/2005, text updated 8/30/2005)
Education and Outreach:
- Travel Award Program for Young Scientists (D. Ceperley; PPT 176Kb) (Posted 9/1/2005)
- Summer School on Introduction to Computational Materials Science (D. Johnson, J. Kim, and R. Martin;PPT 1.4MB) (Posted 8/22/2005)
- Understanding Complex Systems Symposium – UCS 2005 (A. Hubler; PPT 399Kb ) (Posted 8/28/2005)
- The MCC Software Archive (PIs: J. Kim, D. D. Johnson, D.M. Ceperley, and R. M. Martin) PPT 591Kb (Posted 9/2/2005)
All Highlights (.zip, 6.8MB) Posted 9/2/2005, 5:41pm
2003 - 2004
Posted 9/21/2004; NSF DMR-0325939; * -- updated 10/2/2004; ** -- updated 10/13/2004 to include citation
Related link: DMR Highlights FY03
Research:
- Complexity of Small Silicon Self-Interstitial Defects (Jeongnim Kim) PPT 218Kb
- Dynamics of Disordered Nonequilibrium Systems: Hysteresis, Noise, and Domain Wall Dynamics in Systems Ranging from Magnets to Earthquakes (Karin Dahmen) PPT 373Kb
- Electron Phonon Interactions in C28-derived Molecular Solids** (N. A. Romero, J. Kim, and R. M. Martin) PPT 335Kb
- Multiscaling using Genetic Programming* (D.D. Johnson, D.E. Goldberg, P. Bellon, and Student K. Sastry) PPT 180Kb
- Multiscale Methods: Polymeric and Polyelectrolytic Materials (Erik Luijten and Students L. Guo and J. Liu) PPT 1.21MB
- NanoScale Patterning of Chemical Order Induced by Ion Beams (Pascal Bellon and Student Jai Ye) PPT 1,100Kb
- New Applications/Tools: Methods for TD-DFT Applications (R. M. Martin, J. R. Chelikowsky (U. Minn.), T. Martinez, D. Golberg, R. Haber, D.D. Johnson) PPT 477Kb
- New Applications/Tools: New Monte Carlo Method for Device Simulation (Jean-Pierre Leburton) PPT 197KB
- Portable Materials Simulation Toolkits (J. Kim, D. D. Johnson, D.M. Ceperley, and R. M. Martin) PPT 354Kb
- Spintronics in Quantum Dots (J.P. Leburton and R.M. Martin) PPT 1.05MB
Education and Outreach:
- The MCC Software Archive (additions and improvements) (A. Young; PIs: J. Kim, D. D. Johnson, D.M. Ceperley, and R. M. Martin) PPT 383Kb
- REU: Computational Design and Understanding of Nitrogen-Steels (Students: M. Curtis (REU: Olins College), D. Biava (RA: UIUC) D.D. Johnson with H. Sehit oglu) PPT 369Kb
- Summer School on Introduction to Computational Nanotechnology (Umberto Ravaioli) PPT 258Kb
(Posted 9/7/2004, Updated 9/21/2004) - Travel Award Program for Young Scientists (David Ceperley) PPT 220Kb
- Understanding Complex Systems Symposium – UCS 2004 (Alfred Hübler and others) PPT 378Kb
- Workshop on Recent Developments in Electronic Structure Methods (D. Ceperley, D. D. Johnson, R. Martin) PPT 1.21MB
Related material: research posters
Posted 6/28/2004, NSF DMR-0325939; view poster thumbnails
- Computer Science and Scalable Methods for Materials Modeling.pdf (B. Levine, T. J. Martinez, E. de Sturler, S. Patel; E. de Sturler, Duane D. Johnson, Philippe Geubelle, Robert H. Dod ds, Misha Kilmer, Mike Parks, and Ben Kaap )1.9 MB
- Multiscale Methods for Materials Science.pdf (P. Bellon, D.D. Johnson, D.E. Goldberg, and T.J. Martinez, Students: Kumara Sastry and Alexis L. Thompson P. Bellon, K. Dahmen, A. Hubler, and E. Luijten; Students: Kumara Sastry and Alexis L. Thompson P. Bellon, K. Dahmen, A. Hubler, and E. LuijtenStudents: Jia Ye, Robert White, Glenn Foster, and Lei Guo) 1.2MB
- Materials Simulations Toolkits.pdf (Jeongnim Kim, D. M. Ceperley, R. M. Martin, D. D. Johnson, Students: J. Vincent and D. Das) 5MB
- Nanoscale Structures and Devices.pdf (J. Coe, R. Haber. D. D. Johnson, B. Levine, R. M. Martin, T. J. Martinez, A. Toniolo, and I. Vasiliev; D. Das, J. N. Kim, J.P. Leburton, R. M. Martin an d L. Zhang) 1.4MB
- Educational Outreach and Knowledge Transfer.pdf (D. D. Johnson, U. Ravaioli, D. M. Ceperley, A. Hübler, J. N. Kim) 11.2MB
- Materials Computation Center -- Overview.pdf (MCC members) 11.2MB
Posted 6/28/2004, Funded by NSF DMR 03-12448
- Thermodynamic Density-Functional Theory of Static and Dynamic Correlations in Complex Solids.pdf
Subhradip Ghosh (Post-Doc), Dominic Biava and Daniel Roberts (Students), Duane D. Johnson (PI) 456K
2002 - 2003
Posted 10/28/2003, NSF DMR-9976550
Research:
- Dynamic Relaxation of Tree Networks in an Electromechanical System (Alfred Hubler) PPT 1,300K
- Dynamics of Disordered Nonequilibrium Systems: Hysteresis, Noise, and Domain Wall Dynamics in Systems Ranging from Magnets to Earthquakes (Karin Dahmen) PPT 133K
- Fast Solvers for Sequences of Linear Systems in Electronic Structures (Eric de Sturler and Duane Johnson) PPT 236K
- Hijacking Game Consoles for Computational Chemistry (Todd J. Martínez and Sanjay Patel) PPT 596K
- Machine-learning to Perform Multi-timescale Kinetic Modeling (Duane Johnson and David Goldberg) PPT 300K
- Multiscale Analysis of NEMS (Narayan Aluru) PPT 95K
- Polymer Shapes in Multicomponent Solutions (Erik Luijten) PPT 120K
- Spintronics in Quantum Dots (J.P. Leburton and R.M. Martin) PPT 207K
Outreach/Education:
- Conference on Understanding Complex Systems (Alfred Hubler, Duane D. Johnson, Karin Dahmen, Robert Clegg) PPT 338K
- MCC Software Archive (MCC) PPT 40K
- Summer School on Theoretical and Computation Biophysics (MCC, David Ceperley) PPT 1,600K
- Publishing and Presenting Research Findings: Graduate Training (Karin Dahmen) PPT 32K
2001-2002
Posted 10/28/2003, NSF DMR-9976550
Outreach/Education:
- Summer School on Simulation of Electron Devices and MEMS (MCC, David Ceperley) PPT 332K
2000-2001
Posted 10/28/2003, NSF DMR-9976550
Outreach/Education:
- Summer School on Tools for Multiple Length and Time Scale Simulations (MCC, David Ceperley) PPT 136K
© 2001-2004 Copyright MCC at the University of Illinois