Building an open, self-consistent force field for biopolymers and small molecules with the open force field initiative infrastructure

Obstacle avoidance for an autonomous vehicle using force field method

This paper presents a force field concept for guiding a vehicle at a high speed maneuver. This method is  similar to potential field method. In this paper, motion constrains like vehicles velocity, distance to obstacle and tire conditions and such lane change conditions as zero slop condition and zero lateral acceleration are discussed. After that, possible equations as vehicles path ar...

Benchmarking a Self-Consistent Field Theory for Small Amphiphilic Molecules

A minimalist self-consistent field theory for small amphiphilic molecules is presented. The equations for this model are less involved than those for block copolymers and are easily implemented computationally. A new convergence technique based on a variant of Anderson mixing is also presented which allows the equations to be solved more rapidly than block copolymer self-consistent field theory...

Consistent Force Field for Calculations of Conformations, Vibrational Spectra, and Enthalpies of Cycloalkane and nAlkane Molecules

Evaluation of solvation free energies for small molecules with the AMOEBA polarizable force field

The effects of electronic polarization in biomolecular interactions will differ depending on the local dielectric constant of the environment, such as in solvent, DNA, proteins, and membranes. Here the performance of the AMOEBA polarizable force field is evaluated under nonaqueous conditions by calculating the solvation free energies of small molecules in four common organic solvents. Results a...

Iterative Force-Field Calculation and Molecular Dynamics of Cyclooctanone

Body's iterative force-field computer program has been used to calculate strain energies in cyclooctanone (I). 348 MHZ 1H NMR spectra of (I) have been investigated over the temperature range of 25° to -160°C. Two conformation processes affect the 1H NMR spectrum of (I). Iterative force-field calculations on the conformations and conformational interconversion paths of ...