Long range corrections for computer simulations of adsorption

Long Range Corrections to the Vapor-Liquid Equilibrium and Surface Tension of Methane with NVT Molecular Dynamics Simulations

2. Long-range and other corrections for density functionals

In this century, the main concerns of theoretical chemistry obviously make the transition from accurate investigations of small molecules to the designs of complicated large molecular systems; e.g. proteins, nano-materials, environmental catalyses, and so forth. What is necessary for approaching these systems is an accurate theory of low computational order. Density Functional Theory (DFT),, is...

Corrections to Temperature in Computer Simulations of Complex Systems

Final Report: Nonlinear Corrections to Temperature in Computer Simulations of Complex Systems Report Title Temperature is the familiar thermodynamic quantity that governs heat flow between large systems. However, temperature comes from just the linear (first-order) derivative of entropy with respect to energy, so that nonlinear corrections may contribute significantly to the equilibrium propert...

Computer Simulation of Long - Range Bird Navigation

2D-finite-element simulations for long-range capacitive position sensor

This paper presents the results of 2D-finite-element simulations of the periodic change in capacitance between two periodic structures, one sliding and one fixed (i.e. sense-structure). These structures are potentially interesting for long-range and high-accuracy position detection of microactuators. The use of periodic geometries and the combination of a discrete (incremental) and analog measu...