molecular-dynamics

Chen, Kevrekidis, and Kevrekidis. (2006) 2006. “Equation-Free Dynamic Renormalization in a Glassy Compaction Model”. Physical Review EPhysical Review E 74 (1): 016702.

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Kevrekidis, P. G., R. Carretero-Gonzalez, D. J. Frantzeskakis, and I. G. Kevrekidis. (2004) 2004. “Vortices in Bose-Einstein Condensates: Some Recent Developments”. Modern Physics Letters B 18 (30): 1481-1505.

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Kevrekidis, I. G., C. W. Gear, and G. Hummer. (2004) 2004. “Equation-Free: The Computer-Aided Analysis of Comptex Multiscale Systems”. Aiche Journal 50 (7): 1346-55.

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Ferguson, Andrew, Athanassios Panagiotopoulos, Pablo Debenedetti, and Ioannis Kevrekidis. (2010) 2010. “Systematic Determination of Order Parameters for Chain Dynamics Using Diffusion Maps”. Proceedings of the National Academy of Sciences of the United States of America 107 (31): 13597-602.

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Armaou, and Kevrekidis. (2005) 2005. “Equation-Free Optimal Switching Policies for Bistable Reacting Systems”. International Journal of Robust and Nonlinear Control 15 (15): 713-26.

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Spaeth, Justin, Ioannis Kevrekidis, and Athanassios Panagiotopoulos. (2011) 2011. “Dissipative Particle Dynamics Simulations of Polymer-Protected Nanoparticle Self-Assembly”. Journal of Chemical Physics 135 (18): 184903.

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Dsilva, Carmeline, Ronen Talmon, Neta Rabin, Ronald Coifman, and Ioannis Kevrekidis. (2013) 2013. “Nonlinear Intrinsic Variables and State Reconstruction in Multiscale Simulations”. Journal of Chemical Physics 139 (18): 184109.

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Yanao, Tomohiro, Wang Koon, Jerrold Marsden, and Ioannis Kevrekidis. (2007) 2007. “Gyration-Radius Dynamics in Structural Transitions of Atomic Clusters”. Journal of Chemical Physics 126 (12): 124102.

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Makeev, Alexei, and Ioannis Kevrekidis. (2009) 2009. “Coarse-Graining the Computations of Surface Reactions: Nonlinear Dynamics from Atomistic Simulators”. Surface Science 603 (10-12): 1696-1705.

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Moon, Sung Joon, and Ioannis Kevrekidis. (2006) 2006. “An Equation-Free Approach to Coupled Oscillator Dynamics: The Kuramoto Model Example”. International Journal of Bifurcation and Chaos 16 (7): 2043-52.

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Sriraman, Kevrekidis, and Hummer. (2005) 2005. “Coarse Nonlinear Dynamics and Metastability of Filling-Emptying Transitions: Water in Carbon Nanotubes”. Physical Review Letters 95 (13): 130603.

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Moller, Runborg, Kevrekidis, Lust, and Kevrekidis. (2005) 2005. “Equation-Free, Effective Computation for Discrete Systems: A Time Stepper Based Approach”. International Journal of Bifurcation and Chaos 15 (3): 975-96.

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Erban, Radek, Thomas Frewen, Xiao Wang, Timothy Elston, Ronald Coifman, Boaz Nadler, and Ioannis Kevrekidis. (2007) 2007. “Variable-Free Exploration of Stochastic Models: A Gene Regulatory Network Example”. Journal of Chemical Physics 126 (15): 155103.

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Kevrekidis, Ioannis, and Giovanni Samaey. 2009. “Equation-Free Multiscale Computation: Algorithms and Applications”. Annual Review of Physical Chemistry 60: 321-44.

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Erban, Kevrekidis, and Othmer. (2006) 2006. “An Equation-Free Computational Approach for Extracting Population-Level Behavior from Individual-Based Models of Biological Dispersal”. Physica D-Nonlinear Phenomena 215 (1): 1-24.

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Frewen, Thomas, Gerhard Hummer, and Ioannis Kevrekidis. (2009) 2009. “Exploration of Effective Potential Landscapes Using Coarse Reverse Integration”. Journal of Chemical Physics 131 (13): 134104.

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Zou, Yu, Ioannis Kevrekidis, and Roger Ghanem. (2006) 2006. “Equation-Free Particle-Based Computations: Coarse Projective Integration and Coarse Dynamic Renormalization in 2D”. Industrial & Engineering Chemistry Research 45 (21): 7002-14.

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Ferguson, Andrew, Athanassios Panagiotopoulos, Pablo Debenedetti, and Ioannis Kevrekidis. (2011) 2011. “Integrating Diffusion Maps With Umbrella Sampling: Application to Alanine Dipeptide”. Journal of Chemical Physics 134 (13): 135103.

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Kessler, Kevrekidis, and Chen. (2006) 2006. “Equation-Free Dynamic Renormalization of a Kardar-Parisi-Zhang-Type Equation”. Physical Review E 73 (3): 036703.

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Kopelevich, Panagiotopoulos, and Kevrekidis. (2005) 2005. “Coarse-Grained Computations for a Micellar System”. Journal of Chemical Physics 122 (4): 044907.

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Spaeth, Justin, Ioannis Kevrekidis, and Athanassios Panagiotopoulos. (2011) 2011. “A Comparison of Implicit- and Explicit-Solvent Simulations of Self-Assembly in Block Copolymer and Solute Systems”. Journal of Chemical Physics 134 (16): 164902.

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Carretero-Gonzalez, Kevrekidis, Kevrekidis, Maroudas, and Frantzeskakis. (2005) 2005. “A Parrinello-Rahman Approach to Vortex Lattices”. Physics Letters A 341 (1-4): 128-34.

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