This award supports collaborative research between Kansas State University and Sandia National Laboratories on the topic ''Molecular simulations of complex fluids in confined geometries.'' The objectives of this work are to develop new methodologies for fast and accurate simulations, and to apply simulations to various problems of interest to DOE. The success of this work will address several deficiencies in Sandia's capabilities in the area of molecular simulations. In addition, it provides educational opportunities for students and will enhance the science and technology capabilities at Kansas State through partnership with the national laboratories
Clearly, models of nanofluid systems-which we define here as those systems involving fluids that con...
The goal of this symposium is to present and discuss how advances in computer hardware, scientific v...
Molecular simulations of water using classical, molecular mechanic potential energy functions have e...
The general area of this project was the development and application of novel molecular simulation m...
This volume contains the proceedings of a NATO Advanced Study Institute which was held in Alghero, S...
The method of Molecular Dynamics (MD) computer simulations is employed to study ultra thin films of ...
The usefulness of computer simulations of dense polyatomic fluids is asserted and illustrated by mea...
Molecular dynamics simulations provide a means to investigate the spatial and temporal evolution of...
In this work, we designed a three-dimensional simulation module that enables users to predict the t...
The method of Molecular Dynamics (MD) computer simulations is employed to study ultra thin films of ...
Molecular simulation is an emerging technique which consists in performing a detailed simulation of ...
The Mobil-nCUBE-Sandia CRADA No. 1140 was aimed at developing the tools and capabilities to model fl...
Historically, reliable data for the thermophysical properties of fluids could only be obtained from ...
Jayendran Rasaiah of the University of Maine is supported by an award from the Theoretical and Compu...
“Liquids confined in nanoscopic geometries are presently of great interest but not well understood. ...
Clearly, models of nanofluid systems-which we define here as those systems involving fluids that con...
The goal of this symposium is to present and discuss how advances in computer hardware, scientific v...
Molecular simulations of water using classical, molecular mechanic potential energy functions have e...
The general area of this project was the development and application of novel molecular simulation m...
This volume contains the proceedings of a NATO Advanced Study Institute which was held in Alghero, S...
The method of Molecular Dynamics (MD) computer simulations is employed to study ultra thin films of ...
The usefulness of computer simulations of dense polyatomic fluids is asserted and illustrated by mea...
Molecular dynamics simulations provide a means to investigate the spatial and temporal evolution of...
In this work, we designed a three-dimensional simulation module that enables users to predict the t...
The method of Molecular Dynamics (MD) computer simulations is employed to study ultra thin films of ...
Molecular simulation is an emerging technique which consists in performing a detailed simulation of ...
The Mobil-nCUBE-Sandia CRADA No. 1140 was aimed at developing the tools and capabilities to model fl...
Historically, reliable data for the thermophysical properties of fluids could only be obtained from ...
Jayendran Rasaiah of the University of Maine is supported by an award from the Theoretical and Compu...
“Liquids confined in nanoscopic geometries are presently of great interest but not well understood. ...
Clearly, models of nanofluid systems-which we define here as those systems involving fluids that con...
The goal of this symposium is to present and discuss how advances in computer hardware, scientific v...
Molecular simulations of water using classical, molecular mechanic potential energy functions have e...