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Publications, sorted by collaboration

Collaboration within MCC (34 out of 175 total)
Collaboration outside UIUC (45 out of 175 total)
Joint student publication (55 out of 175 total)
Acknowledges MCC computing resources (47 out of 175 total)

Collaboration within MCC

Glenn Foster, Alfred W. Hubler, Karin Dahmen, “ Resonant forcing of multi-dimensional chaotic map dynamics”, Physical Review E 75, 036212, 9 pages (2007) Abstract http://server10.how-why.com/papers/glenn_pre.pdf

Jihan Kim, Dmitriy Melnikov, Michele Casula, Jean-Pierre Leburton, “ Variational Monte Carlo Method for Coupled Quantum Dots in Magnetic Fields ” (2007) Abstract

J. Kim, D. V. Melnikov, and J-.P. Leburton, “ Coupled Quantum Dots as Two-Level Systems: A Variational Monte Carlo Approach. ”, Physical Review B (2007) Abstract (Submitted not published)

Yang Liu and Karin A. Dahmen, “ Surprisingly similar scaling in and out of equilibrium: Random Field Ising Model” (2007) Abstract (Submitted not published)

Dmitriy V. Melnikov and Jean-Pierre Leburton, “ Single-particle state mixing in two-electron double quantum dots”, Physical Review B 73, 155301-1-5, 5 pages (2007) Abstract

Dmitriy V. Melnikov and Jean-Pierre Leburton, “ Single-Paticle State Mixing and Coulomb Localization in Two- Electron Realistic Coupled Quantum Dots” 4 (2), 578-81, 4 pages (2007) Abstract http://dx.doi.org/10.1002/pssc.200673206

Dmitriy V. Melnikov, Jean-Pierre Leburton,Ahmed Taha, and Nahil Sobh, “ Coulomb localization and exchange modulation in two-electron coupled quantum dots”, Physical Review B 74, 041309-1-4, 4 pages (2007) Abstract

D.V. Melnikov , L.-X. Zhang , J.-P. Leburton, “ Exchange coupling between two electrons in double quantum dot structures” 10, 114-9, 7 pages (2007) Abstract

D. V. Melnikov and J.-P. Leburton, “ Transport Spectroscopy in Vertical Quantum Dots”, 10 pages (in press 2007) Abstract

Nichols A. Romero, Jeongnim Kim, and Richard M. Martin, “Electronic structures and superconductivity of endohedrally doped C28 solids from first principles”, Physical Review B 76 (205405), 6 pages (2007) (Included in Virtual Journal of Nanoscale Science and Technology, November 19, 2007) 10.1103/PhysRevB.76.205405

K. Sastry, D.D. Johnson, D. E. Goldberg, “ Scalability of a hybrid extended compact genetic algorithm for ground state optimization of clusters.”, Materials and Manufacturing Processes 22, 7 pages (in press 2007) Abstract http://dx.doi.org/10.1080/10426910701319654

K. Sastry, D.D. Johnson, A. L. Thompson, D. E. Goldberg, T. J. Martinez, J. Leiding, J. Owens, “ Optimization of Semiempirical Quantum Chemistry Methods via Multiobjective Genetic Algorithms: Accurate Photochemistry for Larger Molecules and Longer Time Scales”, Materials and Manufacturing Processes 22, 9 pages (in press 2007) Abstract http://dx.doi.org/10.1080/10426910701319506

Jordan E. Vincent, Jeongnim Kim, and Richard M. Martin, “ Quantum Monte Carlo calculations of the optical gaps of Ge nanoclusters using core-polarization potentials”, Physical Review B 75, 045302, 10 pages (2007) Abstract http://dx.doi.org/10.1103/PhysRevB.75.045302

N. A. Zarkevich, Teck L. Tan, and D. D. Johnson, “ First-principles prediction of phase-segregating alloy phase diagrams and a rapid design estimates of their transition temperatures”, Physical Review B 75, 104203-1-2 (2007) Abstract PDF http://dx.doi.org/10.1103/PhysRevB.75.104203

L.-X. Zhang, D. V. Melnikov and J.P. Leburton, “ Exchange interaction and stability diagram of coupled quantum dots in magnetic fields”, Physical Review B 74, 205306-1-6, 6 pages (2007) Abstract

L-X Zhang, D. V. Melnikov and J.P. Leburton, “ Engineering Exchange Coupling in Double Elliptic Quantum Dots”, IEEE Transactions on Nanotechnology 6 (2), 250-6, 6 pages (2007) Abstract

Glenn Foster, Alfred W. Hubler, Karin Dahmen, “Resonance Spectroscopy with Chaotic Forcing Functions”, Physical Review E (2006) Abstract PDF

Michael L. Parks, Eric de Sturler, Greg Mackey, Duane D. Johnson, and Spandan Maiti, “Recycling Krylov Subspaces for Sequences of Linear Systems”, SIAM Journal on Scientific Computing 28 (5), 1651-74, 24 pages (accepted 2006) Abstract PDF http://huygens.math.vt.edu/~sturler/Papers/SeqLinSys_FinalDraft.pdf

K. Sastry, D.D. Johnson, A. L. Thompson, D. E. Goldberg, T. J. Martinez, J. Leiding, J. Owens, “Multiobjective Genetic Algorithms for Multiscaling Excited State Direct Dynamics in Photochemistry”, *Chosen as Best Paper in Track. *Won 2006 "Silver Humie" in Human Competitive Results Awards at Genetic and Evolutionary Computation Conference, Genetic and Evolutionary Computation Conference, 1745-52, 8 pages (2006) (Best paper award in Real World Applications track. Silver Humie award at the Human Competitive Results Competition) Abstract PDF

J. Kim, P. Matagne, J.P. Leburton, R.M. Martin and S. Tarucha, “Engineering Quantum Confinement and Orbital Coupling in Laterally-Coupled Vertical Quantum Dots for Spintronic Applications”, IEEE Transactions on Nanotechnology (in press 2005) Abstract

P. Melby, N. Weber, A. Hubler, “ Dynamics of Self-Adjusting System with Noise”, Chaos 15 (033902), 7 pages (2005) Abstract PDF

Kumara Sastry, D.D. Johnson, D.E. Goldberg, and P. Bellon, “Genetic programming for multitimescale modeling”, Physical Review B 72, 085438-1-9 (2005) (*Chosen as focused article of frontier research in Virtual Journal of Nanoscale Science & Technology, Vol 12, Issue 9 (2005).) Abstract DOI download

Kumara Sastry, D.D. Johnson, D.E. Goldberg, and P. Bellon, “Genetic Programming for MultiScale Modeling”, International Journal of MultiScale Computational Engineering 2 (2), 239-56 (2005)

Sastry, K., Abbass, H. A., Goldberg, D. E., Johnson, D.D., “Sub-structural Niching in Estimation Distribution Algorithms”, Genetic and Evolutionary Computation Conference, 671-8 (2005) (*Nominated for best paper in the EDA track.) Abstract PDF

R. Ravishankar, P. Matagne, J. P. Leburton and R. M. Martin, “Three-dimensional self-consistent simulations of symmetric and asymmetric laterally coupled vertical quantum dots”, Physical Review B 69, 035326 (2004)

Nichols A. Romero, Jeongnim Kim and Richard M. Martin, “Electron-Phonon Interactions in C28-derived Molecular Solids”, Physical Review B 70, 140504, 4 pages (2004)

S.V. Khare, S. Kodambaka, D.D. Johnson, I. Petrov and J.E. Greene, “Determining Absolute Orientation-Dependent Step Energies: A General Theory for Wulff construction and for Anisotropic Two-Dimensional Island Shape Fluctuations”, Surface Science 522, 75-83 (2003)

S. Kodambaka, V. Petrov, S.V. Khare, D.D. Johnson, I. Petrov and J.E. Greene, “Absolute Orientation-Dependent Anisotropic TiN(111) Island Step Energies and Stiffnesses from Shape Fluctuation Analyses”, Physical Review B 67, 035409 (2003)

J. P. Leburton, S. Nagaraja , P. Matagne and R. M. Martin, “Spintronics and exchange engineering in coupled quantum dots”, Microelectronics Journal 34, 485-9 (2003)

Ruyi Yu, Eric de Sturler, D.D. Johnson and A.V. Smirnov, “A block GCROT method for Complex, non-Hermitian matrices: Application to Large-Scale Electronic-Structure Calculations” (2003) (CS Internal Report)

S. Kodambaka, V. Petrova, S.V. Khare, D.D. Johnson, I. Petrov, J.E. Greene, “Absolute TiN(111) Step Energies from Analysis of Anisotropic Island Shape Fluctuations”, Physical Review Letters 88, 146101 (2002)

P. Matagne, T. Wilkens, J.P. Leburton and R.M. Martin, “ Hybrid LSDA/Diffusion Quantum Monte-Carlo Method for Spin Sequences in Vertical Quantum Dots”, Journal of Computational Electronics 1, 135 (2002)

Ruyi Yu, Eric de Sturler, Duane D. Johnson, “A Block Iterative Solver for Complex Non-Hermitian Systems Applied to Large-Scale, Electronic-Structure Calculations” (2002) (Technical Report No. UIUCDCS-R-2002-2299) PS version

Kumara Sastry, D.D. Johnson, D.E. Goldberg, and P. Bellon, “"Genetic programming for multitimescale modeling,"”, *Chosen as focused article of frontier research in Virtual Journal of Nanoscale Science & Technology, Vol 12, Issue 9 (2005)., Physical Review B 72, 085438-1-9 Abstract http://dx.doi.org/10.1103/PhysRevB.72.113105

Collaboration outside UIUC

Jean-Pierre Leburton, Jeanlex Soares De Sousa,Gil De Aquino Farias, Valder Nogueira Freire, “Memory Device” (2008) (Co-patent-author was an MCC-supported visitor) Abstract

J. Bacardit, M. Stout, J.D. Hirst, K. Sastry, X. Llorà, N. Krasnogor, “ Automated alphabet reduction method with evolutionary algorithms for protein structure prediction”, Genetic and Evolutionary Computation Conference (accepted 2007) Abstract

M. V. Butz, D. E. Goldberg, P. L. Lanzi, K. Sastry, “Problem solution sustenance in XCS: Markov chain analysis of niche support distributions and the impact on computational complexity. ”, Genetic and Evolutionary Computation Conference 8 (1), 5-37 (2007) Abstract PDF Springer link

Yang Liu, Karin A. Dahmen and A. Berger, “ Intrinsic switching field distribution in perpendicular recording media: numerical study of the ?H(M,?M) method” (in press 2007) (last one entered into fastlane, ay, 05-12-2007) Abstract

X. Llorà, K. Sastry, T.-L. Yu, D. E. Goldberg, “ Do not match, Inherit: Fitness surrogates for genetics-based machine learning techniques”, Genetic and Evolutionary Computation Conference (accepted 2007)

A. Orriols-Puig, D. E. Goldberg, K. Sastry, E. Bernadó-Mansilla, “ Modeling XCS in class imbalances: Population sizing and parameter settings”, Genetic and Evolutionary Computation Conference (accepted 2007) Abstract PDF

A. Orriols-Puig, K. Sastry, P. L. Lanzi, D. E. Goldberg, E. Bernadó-Mansilla E., “ Modeling selection pressure in XCS for proportionate and tournament selection.”, Genetic and Evolutionary Computation Conference (accepted 2007) PDF

M. Pelikan, K. Sastry, D. E. Goldberg, “ Sporadic model building for efficiency enhancementof the hierarchical BOA”, Genetic Programming and Evolvable Machines (accepted 2007)

K. Sastry, D. E. Goldberg, X. Llorà, “ Towards billion-bit optimization via a parallel estimation of distribution algorithm”, Genetic and Evolutionary Computation Conference (accepted 2007) (*Nominated for best paper in the EDA track.) Abstract PDF

K. Sastry, M. Pelikan, D. E. Goldberg, “ Empirical Analysis of Ideal Recombination on Random Decomposable Problems”, Genetic and Evolutionary Computation Conference (accepted 2007) (*Nominated for best paper in the GA track.) Abstract

LinLin Wang and D.D. Johnson, “ Shear instabilities in metallic nanoparticles: hydrogen-stabilized structure of Pt37 on carbon”, Journal of American Chemical Society 129, 3658-64, 7 pages (2007) Abstract PDF http://dx.doi.org/10.1021/ja068750h

T.-L. Yu, K. Sastry, D. E. Goldberg, M. Pelikan, “ Let's get ready to rumble redux: Crossover versus mutation head to head on exponentially scaled problems”, Genetic and Evolutionary Computation Conference (accepted 2007) (*Nominated for best paper in the EDA track.) Abstract PDF

M. Pelikan, K. Sastry, E. Cantú-Paz, “Scalable Optimization via Probabilistic Modeling: From Algorithms to Applications. Berlin: Springer” (2006) See here for more details.

Salvador Barraza-Lopez, Peter M Albrecht, Nichols A. Romero, and Karl Hess, “ Ab initio study of semiconducting carbon nanotubes adsorbed on the Si(100) surface: Diameter- and registration-dependent atomic configurations and electronic properties” 100 (124304), 10 pages (2006) http://scitation.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=JAPIAU000100000012124304000001&idtype=cvips&prog=normal

Salvador Barraza-Lopez, Peter M Albrecht, Nichols A. Romero, and Karl Hess, “ Ab initio study of semiconducting carbon nanotubes adsorbed on the Si(100) surface: Diameter- and registration-dependent atomic configurations and electronic properties” 100 (124304), 10 pages (2006) Abstract http://scitation.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=JAPIAU000100000012124304000001&idtype=cvips&prog=normal

Salvador Barraza-Lopez, Peter M Albrecht, Nichols A. Romero, and Karl Hess, “ Ab initio study of semiconducting carbon nanotubes adsorbed on the Si(100) surface: Diameter- and registration-dependent atomic configurations and electronic properties”, Journal of Applied Physics 100 (124304), 10 pages (2006) Abstract PDF

E.W. Carlson, K.A. Dahmen, E. Fradkin, S.A. Kivelson, “Hysteresis and Noise from Electronic Nematicity in High Temperature Superconductors”, Physical Review Letters 96, 097003/1-4 (2006) Abstract http://arxiv.org/abs/cond-mat/0510259

D. Das, R. M. Martin, and M. Kalos, “Quantum Monte Carlo using a Stochastic Poisson Solver”, Physical Review E 73 (4), 046702 (accepted 2006)

K. Delaney, C. Pierleoni and D. M. Ceperley, “Quantum Monte Carlo Simulation of the High Pressure Molecular-Atomic Transition in Fluid Hydrogen”, Physical Review Letters 97, 235702 (2006) (Supported by the MCC Visitor Program) PDF http://dx.doi.org/10.1103/PhysRevLett.97.235702

Subhradip Ghosh, D.A. Biava, W.A. Shelton, and D.D. Johnson, “Systematically exact, integrated density of states Lloyd's formula for disordered alloys with short-range order”, Physical Review B 73, 085106-12 (2006) Abstract DOI Download

Misha Kilmer and Eric de Sturler, “Recycling Subspace Information for Diffuse Optical Tomography”, SIAM Journal on Scientific Computing, SIAM Journal on Scientific Computing 27 (6), 2140-66, 27 pages (2006) (Also available from http://www.math.vt.edu/people/sturler) Abstract PDF http://epubs.siam.org/SISC/volume-27/art_61027.html

Amit P. Mehta, Karin A. Dahmen, and Yehuda Ben-Zion, “Universal mean moment rate profiles of earthquake ruptures”, Physical Review E (in press 2006) Abstract http://xxx.lanl.gov/abs/cond-mat/0509226

M. Pelikan, K. Sastry, D. E. Goldberg, “ Sporadic Model Building for Efficiency Enhancement of hBOA”, Genetic and Evolutionary Computation Conference, 405-12 (2006) Abstract PDF

K. Sastry, C. F. Lima, D. E. Goldberg, “Evaluation Relaxation Using Substructural Information and Linear Estimation”, Genetic and Evolutionary Computation Conference, 419-26 (2006) Abstract PDF

K. Sastry, P. Winward, D. E. Goldberg, C. F. Lima, “Fluctuating Crosstalk as a Source of Deterministic Noise and its Effects on GA Scalability”, Applications of Evolutionary Computing: EvoWorkshops 2006, 740-51 (2006) Abstract http://dx.doi.org/10.1007/11732242_72

Chris Siefert and Eric de Sturler, “Probing Methods for Saddle-Point Problems”, Electronic Transactions on Numerical Analysis 22, 163-8, 21 pages (2006) Abstract PDF http://etna.mcs.kent.edu/vol.22.2006/pp163-183.dir/pp163-183.pdf

L-L Wang, S.V. Khare, V. Chirita, D.D. Johnson, A.A. Rockett, A.I. Frenkel, N.H. Mack, and R.G. Nuzzo, “Origin of bulk-like structure and bond distributions of Pt37 and Pt6Ru31 clusters on carbon: comparison of theory and experiment”, Journal of American Chemical Society 128 (1), 131-42 (2006) Abstract DOI Download

Bradley Chase and Alfred Hubler, “ Inverse Energy-Uncertainty Relation for a Simple Information Engine”, Physical Review Letters, 4 pages (2005) Abstract http://server10.how-why.com/papers/Chase05.pdf (Submitted not published)

P. Melby, N. Weber, A. Hubler, “ Dynamics of Self-Adjusting System with Noise”, Chaos 15 (033902), 7 pages (2005) Abstract PDF

G. A. Narvaez, J. Kim and J. W. Wilkins, “Effects of morphology on phonons in nanoscopic silver grains”, Physical Review B 72, 155411 (2005)

L-L Wang and D.D. Johnson,, “Removing critical errors for DFT application to transition-metal nanoclusters: correct ground-state structures of Ru clusters” 109 (49), 23113-7 (2005) Abstract DOI download

L-L Wang and D.D. Johnson, “Removing critical errors for DFT application to transition-metal nanoclusters: correct ground-state structures of Ru clusters”, Journal of Physical Chemistry B 109 (49), L23113-2317 (2005) Abstract DOI download

D. A. Richie, Jeongnim Kim, Stephen A. Barr, Kaden R. A. Hazzard, Richard Hennig, and John W. Wilkins, “Complexity of Small Silicon Self-Interstitial Defects”, Physical Review Letters 92, 045501 (2004)

L.-X. Zhang, J. P. Leburton, R. Hanson, and L. P. Kouwenhoven, “Engineering the quantum point contact response to single-electron charging in a few-electron quantum-dot circuit”, Applied Physics Letters 85, 2628, 4 pages (2004)

M. D. Deshpande, D. G. Kanhere, I. Vasiliev, and R. M. Martin, “Ab initio absorption spectra of Aln (n=2-13) clusters”, Physical Review B 68, 035428 (2003)

A. Rockett, D.D. Johnson, S.V. Khare, and B.R. Tuttle, “Prediction of Dopant Ionization Energies in Silicon: the importance of strain”, Physical Review B 68, 233208-4 (2003) (Brief Reports)

M. D. Deshpande, D. G. Kanhere, I. Vasiliev, and R. M. Martin, “Density-Functional Study of Structural and Electronic Properties of Na$_{n}$Li and Li$_{n}$Na ($1 leq n leq 12$) Clusters”, Physical Review A 65 (3), 033202-6 (2002)

M. D. Deshpande, D. G. Kanhere, P. V. Panat, I. Vasiliev, and R. M. Martin, “Ground-State Geometries and Optical Properties of Na$_{8-x}$Li$_{x}$ ($x = 0 - 8$) Clusters”, Physical Review A 65 (5), 053204-8 (2002)

S. Lee, J. Kim, L. Jonsson, J. W. Wilkins, G. W. Bryant and G. Klimeck, “Many-body levels of optically excited and multiply charged InAs nanocrystals modeled by semi-empirical tight-binding”, Physical Review B vol 66, 235307/1-2 (2002)

Mehta AP, Mills AC, Dahmen KA, Sethna JP, “Universal pulse shape scaling function and exponents: critical test for avalanche models applied to Barkhausen noise”, Physical Review E 65, 046139 (2002) PDF

I. Vasiliev, R. M. Martin, and J. R. Chelikowsky, “Surface Oxidation Effects on the Optical Properties of Silicon Nanocrystals”, Physical Review B 65 (12), R121302-4 (2002)

Carpenter JH,Dahmen KA,Sethna JP,Friedman G,Loverde S,Vanderveld R, “ Subloops,Barkhausen noise, and disorder induced critical behavior”, Journal of Applied Physics 89 (11), 6799-801 (2001) HTML

Sethna JP, Dahmen KA, Myers CR, “Crackling Noise”, Nature 410, 242-50 (2001) PDF

Karin Dahmen, Robert White, Alex Travesset, and Gianfranco Durin, “Driving rate effects on crackling noise”

Karin Dahmen, Yang Liu, and Gianfranco Durin, “Disordered magnets: do equilibrium and nonequilibrium behavior scale the same way ? ”

Joint student publication

Ivan S. Ufimtsev and Todd J. Martinez, “Quantum Chemistry on Graphical Processing Units. 1. Strategies for Two-Electron Integral Evaluation”, Journal of Chemical Theory and Computation (2008) Abstract http://dx.doi.org/10.1021/ct700268q

J. Xu and A. W. Huebler, “Detecting quasiperiodic structures with double diffraction”, Europhysics Letters 81, 16002 (in press 2008) http://dx.doi.org/10.1209/0295-5075/81/16002

Gerig, Austin; Hubler, Alfred, “ Chaos in a one-dimensional compressible flow”, Physical Review E, 4 pages (2007) Abstract http://dx.doi.org/10.1103/PhysRevE.75.045202

Jihan Kim, Dmitriy Melnikov, Michele Casula, Jean-Pierre Leburton, “ Variational Monte Carlo Method for Coupled Quantum Dots in Magnetic Fields ” (2007) Abstract

J. Kim, D. V. Melnikov, and J-.P. Leburton, “ Coupled Quantum Dots as Two-Level Systems: A Variational Monte Carlo Approach. ”, Physical Review B (2007) Abstract (Submitted not published)

Yang Liu and Karin A. Dahmen, “ Surprisingly similar scaling in and out of equilibrium: Random Field Ising Model” (2007) Abstract (Submitted not published)

D.V. Melnikov , L.-X. Zhang , J.-P. Leburton, “ Exchange coupling between two electrons in double quantum dot structures” 10, 114-9, 7 pages (2007) Abstract

M. Pelikan, K. Sastry, D. E. Goldberg, “ Sporadic model building for efficiency enhancementof the hierarchical BOA”, Genetic Programming and Evolvable Machines (accepted 2007)

Martin S. Singleton, Alfred W. Huebler, “ Learning rate and attractor size of the single-layer perceptron”, Physical Review E 75, 026704, 13 pages (2007) (Also selected by the editors for the March 2007 Virtual Journal of Biological Physics Research) Abstract http://link.aps.org/abstract/PRE/v75/e026704

Shun Wang, Eric de Sturler, and Glaucio H. Paulino, “Large-Scale Topology Optimization using Preconditioned Krylov Subspace Methods with Recycling”, International Journal for Numerical Methods in Engineering 69 (12), 2441-68, 28 pages (2007) Abstract PDF http://dx.doi.org/10.1002/nme.1798

L-X Zhang, D. V. Melnikov and J.P. Leburton, “ Engineering Exchange Coupling in Double Elliptic Quantum Dots”, IEEE Transactions on Nanotechnology 6 (2), 250-6, 6 pages (2007) Abstract

M. Pelikan, K. Sastry, E. Cantú-Paz, “Scalable Optimization via Probabilistic Modeling: From Algorithms to Applications. Berlin: Springer” (2006) See here for more details.

B. Clark and D. M. Ceperley, “Off-Diagonal Long-Range Order in Solid 4He”, Physical Review Letters 96, 105301 (2006) http://arxiv.org//abs/cond-mat/0512547

D. Coe and T. J. Martínez, “Ab Initio Molecular Dynamics of Excited State Intramolecular Proton Transfer Around a Three-State Conical Intersection in Malonaldehyde”, Journal of Physical Chemistry A 110 (2), 618-30 (2006) DOI link

Daniel Finkenstadt and D.D. Johnson, “Solute/Defect-Mediated Pathway for Rapid Nanoprecipitation in Solid-Solutions: Gamma-Surface Analysis in fcc Al-Ag”, Physical Review B 73, 024101-10 (2006) Abstract DOI Download

Glenn Foster, Alfred W. Hubler, Karin Dahmen, “Resonance Spectroscopy with Chaotic Forcing Functions”, Physical Review E (2006) Abstract PDF

S. A. Khairallah, M. B. Sevryuk, D. M. Ceperley and J. P. Toennies, “ Theory of Small Para-Hydrogen Clusters, Magic Numbers and Superfluid Sizes”, Physical Review Letters (2006) (Submitted not published)

B. G. Levine, C. Ko, J. Quenneville, and T. J. Martinez, “Conical Intersections and Double Excitations in Time Dependent Density Functional Theory”, Molecular Physics 104 (05-07), 1039-51 (2006) (Invited article for a Special Issue in Honour of Professor Michael Albert Robb) DOI link

M. Pelikan, K. Sastry, D. E. Goldberg, “ Sporadic Model Building for Efficiency Enhancement of hBOA”, Genetic and Evolutionary Computation Conference, 405-12 (2006) Abstract PDF

K. Sastry, C. F. Lima, D. E. Goldberg, “Evaluation Relaxation Using Substructural Information and Linear Estimation”, Genetic and Evolutionary Computation Conference, 419-26 (2006) Abstract PDF

Jia Ye, “Nanoscale patterning of chemical order introduced by displacement cascades in irradiated alloys” (2006) (Advisor: Pascal Bellon) Abstract PDF

Jia Ye and Pascal Bellon, “Nanoscale patterning of chemical order induced by displacement cascades in irradiated L10 alloys: Scaling analysis of the fluctuations of order”, Physical Review B 73, 224121-1-1, 11 pages (2006) Abstract http://dx.doi.org/10.1103/PhysRevB.73.224121

Khairallah, S.A., Ceperley, D.M., “Superfluidity of dense /sup 4/He in Vycor”, Physical Review Letters 95 (18), 185301 (2005)

Kumara Sastry, D.D. Johnson, D.E. Goldberg, and P. Bellon, “Genetic Programming for MultiScale Modeling”, International Journal of MultiScale Computational Engineering 2 (2), 239-56 (2005)

A. Toniolo, B. Levine, A. Thompson, J. Quenneville, M. Ben-Nun, J. Owens, S. Olsen, L. Manohar, and T. J. Martínez, “Photodynamics from First Principles”, ed. A. Kutateladze, Computational Methods in Organic Photochemistry (2005) (ISBN: 0824753453) CRC Press book description

Nichols A. Romero, Jeongnim Kim and Richard M. Martin, “Electron-Phonon Interactions in C28-derived Molecular Solids”, Physical Review B 70, 140504, 4 pages (2004)

Nikolai Zarkevich and D.D. Johnson, “Reliable First-Principles Alloy Thermodynamics via Truncated Cluster Expansions”, Physical Review Letters 92, 255702-1/4 (2004)

Karin Dahmen and Yang Liu, “Disordered magnets: do equilibrium and nonequilibrium behavior scale the same way ? ”

Karin Dahmen and Yang Liu, “Disordered magnets: are equilibrium and nonequilibrium behavior the same ? ”

Karin Dahmen, Robert White, Alex Travesset, and Gianfranco Durin, “Driving rate effects on crackling noise”

Karin Dahmen, Yang Liu, and Gianfranco Durin, “Disordered magnets: do equilibrium and nonequilibrium behavior scale the same way ? ”

Acknowledges MCC computing resources