Finally, non-equilibrium molecular dynamics simulations with the Tersoff potential are promising for computing the thermal conductivity of nanocomposites based on amorphous SiO2 and can be readily scaled to more complex composite structures with embedded nanoparticles, which thus help design nanocomposites with desired thermal properties.
This creates a potential problem, since, for computing the set of attractors common to the synchronous and the asynchronous model of a gene regulatory network, Algorithm 2 for the asynchronous model may require a large number of iterations.
This paper introduces a framework to quantitatively evaluate the energy implications of occupancy diversity at the building level, where building information modeling is integrated to provide building geometries, HVAC system layouts, and spatial information as inputs for computing potential energy implications if occupancy diversity were to be eliminated.
In this work, constitutive properties of yarns in bending and transverse compression were measured using Kawabata Evaluation System, and used for computing the potential energy stored in individual yarn segments within a preform.
This paper discusses GPU acceleration of the multilevel summation method for computing electrostatic potentials and forces for a system of charged atoms, which is a problem of paramount importance in biomolecular modeling applications.
We introduce a fast algorithm for computing volume potentials – that is, the convolution of a translation invariant, free-space Green's function with a compactly supported source distribution defined on a uniform grid.
A real space grid is used for computing electrostatic potentials, with mesh cutoff energy equal to 75 Hartree.
Janet Murray, an early developer of humanities computing, first made the case for the expressive potentials of computing in 1997 with the publication of Hamlet on the Holodeck: The Future of Narrative in Cyberspace.
An adaptive integration method is proposed for computing cardiac action potential models accurately and efficiently.
This paper derives a new algorithm for computing the compensating potential, as well as its gradient for tree topology molecular systems.
