Publications
2012
G. Arampatzis, M. A. Katsoulakis, P. Plechac
Parallelization, processor communication and error analysis in lattice kinetic Monte Carlo.
(preprint-arXiv:)
submitted to SIAM J. Numer. Anal.
E. Kalligiannaki, M. A. Katsoulakis, P. Plechac
Spatial multi-level interacting particle simulations and information theory-based error quantification.
(preprint-arXiv: 1208.0730)
submitted to SIAM Sci. Comp.
G. Arampatzis, M. A. Katsoulakis, P. Plechac, M. Taufer, L. Xu
Fractional-step kinetic Monte Carlo algorithms and hierarchical parallelization
(preprint-arXiv:1105.4673)
J. Comp. Phys. DOI: 10.1016/j.jcp.2012.07.017, available in electronic form
2011
N. M. Abukhdeir and D. G. Vlachos
Nano-scale surface pattern evolution in heteroepitaxial bimetallic films
accepted in ACS Nano
Y. Pantazis, M. A. Katsoulakis
Controlled-error approximations for surface diffusion of interacting
particles with applications to pattern formation
(preprint-arXiv:1109.2077 [math.PH])
submitted to SIAM Sci. Computing
E. Kalligiannaki, M. A. Katsoulakis, P. Plechac, D. G. Vlachos
Multilevel coarse graining and nano--pattern discovery in many particle
stochastic systems
(preprint-arXiv:1109.0459)
J. Comp. Phys. (2011) DOI: 10.1016/j.jcp.2011.12.011
available in electronic form
E. Kalligiannaki, M. A. Katsoulakis, P. Plechac
Coupled coarse-graining and Markov Chain Monte Carlo for lattice systems
in Numerical Analysis and Multiscale Computations, Ed. B. Enguist, O. Runborg, R. Tsai, Lecture Notes on Computational Science and Engineering (LNCSE), Springer, 2011
N.M. Abukhdeir, D. G. Vlachos, M.A. Katsoulakis and M. Plexousakis
Long-time integration methods for mesoscopic models of pattern-forming systems
J. Comp. Phys. 230, 14, 5704-5715, (2011)
M. Salciccioli, M. Stamatakis, S. Caratzoulas, and D. G. Vlachos
A review of multiscale modeling of catalytic reactions: Mechanism development for complexity and emergent behavior
Chem. Eng. Sci. 66, 4319-4355 (2011)
2010
H. Y. Wang, M. Stamatakis, D. A. Hansgen, S. Caratzoulas, and D. G. Vlachos
Understanding mixing of Ni and Pt in the Ni/Pt(111) bimetallic catalyst via molecular simulation and experiments
J. Chem. Phys. 133, 2245031-22450311 (2010)
E. Kalligiannaki, M. A. Katsoulakis, P. Plechac
Coupled coarse graining and Markov Chain Monte Carlo for lattice systems
(preprint-arXiv:1006.3781)
M. A. Katsoulakis, P. Plechac, L. Rey-Bellet, D. K. Tsagkarogiannis
Coarse-graining schemes for stochastic lattice systems with short and long-range interactions (arXiv:1006.1506) submitted to Math. Comp.
P. Plechac, M. Rousset,
Implicit Mass-Matrix Penalization of Hamiltonian dynamics with application to exact sampling of stiff systems.
SIAM Multiscale Meth. Sim., 8(2), pp. 498-539 (2010),
(preprint)
2009
S. Are, M. A. Katsoulakis, A. Szepessy
Coarse-grained Langevin approximations and spatiotemporal acceleration for
kinetic Monte Carlo simulations of diffusion of interacting particles.
Chin. Ann. Math. Ser. B, 30, 6, 653-682, (2009)
M. A. Katsoulakis, P. Plechac, D.G. Vlachos,
Hierarchical pattern discovery in stochastic lattice systems. (preprint)
J. Mascie-Taylor, P. Plechac
Multi-level coarse graining methods for sampling stochastic particle systems. (preprint)
2008
S. Are, M. A. Katsoulakis, P. Plechac, L. Rey-Bellet,
Multi-body interactions in coarse-graining schemes for extended systems.
SIAM J. Sci. Comp., 31(2), pp. 987-1015 (2008),
(preprint)
M.A. Katsoulakis, P. Plechac and L. Rey-Bellet,
Numerical and statistical methods for the coarse-graining of many-particle stochastic systems.
J. Sci. Comp. 37, (2008), 43-71,
(preprint)
2007
Chatterjee, A., Vlachos, D. G.,
Systems tasks in nanotechnology via hierarchical multiscale modeling: Nanopattern formation in heteroepitaxy.
Chem. Eng. Sci. 2007, 62, (18-20), 4852- 4863.
Chatterjee, A., Vlachos, D. G.,
An overview of spatial microscopic and accelerated kinetic Monte Carlo methods.
Journal of Computer-Aided Materials Design 2007, 14, (2), 253-308, invited.
Chatterjee, A., Vlachos, D. G.,
A continuum mesoscopic framework for multiple interacting species and processes on multiple site types and/or crystallographic planes.
J. Chem. Phys. 2007, 127, (3), 0347051-03470516;
Selected also for the July 30, 2007 issue of Virtual J. Nanoscale Sci. Tech