A method of visualization of two-dimensional systems of particles in a large time scale molecular dynamics with application to the domain reorientation process in 2D Lennard-Jones system is presented. The described processing is general and can be used in comparing experimental results of atomic force microscopy with the results calculated using a computer as well as for predicting new phenomena. Domain reorientation process in 2D Lennard-Jones system approaching equilibrium is presented and confronted with the Fourier analysis of the data obtained for different initial parameters and at different states of aggregation. New border domain features accompanying this process are discussed
In this paper, we present a graphical system for pre- and post-processing of a molecular dynamics si...
When examining complex problems, such as the folding of proteins, coarse grained descriptions of the...
Cells are highly organized objects containing millions of molecules. Each biomolecule has a specifi...
In this paper, we propose a new generic approach for reverse mapping from coarse-grained to atomisti...
In this paper, we propose a new generic approach for reverse mapping from coarse-grained to atomisti...
Multiscale techniques are becoming increasingly important for molecular simulation as a result of in...
We have recently developed a scalable algorithm for ordering the instantaneous observations of a dyn...
We propose an approach for summarizing the output of long simulations of complex systems, affording ...
We have proposed a scheme to support interactive visualization at space-time multiresolution of the ...
In this paper, we propose a new generic approach for reverse mapping from coarse-grained to atomisti...
Cells are highly organized objects containing millions of molecules. Each biomolecule has a specific...
Thesis (B.S.) in Chemical Engineering--University of Illinois at Urbana-Champaign, 1991.Includes bib...
204 p.Thesis (Ph.D.)--University of Illinois at Urbana-Champaign, 2009.Experimental methods in biolo...
By using a graphics processing unit-accelerated parallel algorithm on a compute unified device archi...
International audienceDescription of macromolecular materials involves numerous computational challe...
In this paper, we present a graphical system for pre- and post-processing of a molecular dynamics si...
When examining complex problems, such as the folding of proteins, coarse grained descriptions of the...
Cells are highly organized objects containing millions of molecules. Each biomolecule has a specifi...
In this paper, we propose a new generic approach for reverse mapping from coarse-grained to atomisti...
In this paper, we propose a new generic approach for reverse mapping from coarse-grained to atomisti...
Multiscale techniques are becoming increasingly important for molecular simulation as a result of in...
We have recently developed a scalable algorithm for ordering the instantaneous observations of a dyn...
We propose an approach for summarizing the output of long simulations of complex systems, affording ...
We have proposed a scheme to support interactive visualization at space-time multiresolution of the ...
In this paper, we propose a new generic approach for reverse mapping from coarse-grained to atomisti...
Cells are highly organized objects containing millions of molecules. Each biomolecule has a specific...
Thesis (B.S.) in Chemical Engineering--University of Illinois at Urbana-Champaign, 1991.Includes bib...
204 p.Thesis (Ph.D.)--University of Illinois at Urbana-Champaign, 2009.Experimental methods in biolo...
By using a graphics processing unit-accelerated parallel algorithm on a compute unified device archi...
International audienceDescription of macromolecular materials involves numerous computational challe...
In this paper, we present a graphical system for pre- and post-processing of a molecular dynamics si...
When examining complex problems, such as the folding of proteins, coarse grained descriptions of the...
Cells are highly organized objects containing millions of molecules. Each biomolecule has a specifi...