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Abstract: We present the derivation of a new molecular mechanical force field for simulating the structures, conformational energies, and interaction energies of proteins, nucleic acids, and many related organic molecule...

Using the freedom of design that metamaterials provide, we show how electromagnetic fields can be redirected at will and propose a design strategy. The conserved fields-electric displacement field D, magnetic induction f...

The parametrization and testing of the OPLS all-atom force field for organic molecules and peptides are described. Parameters for both torsional and nonbonded energetics have been derived, while the bond stretching and a...

We describe here a general Amber force field (GAFF) for organic molecules. GAFF is designed to be compatible with existing Amber force fields for proteins and nucleic acids, and has parameters for most organic and pharma...

We describe monocrystalline graphitic films, which are a few atoms thick but are nonetheless stable under ambient conditions, metallic, and of remarkably high quality. The films are found to be a two-dimensional semimeta...

The emerging field of emotion regulation studies how individuals influence which emotions they have, when they have them, and how they experience and express them. This review takes an evolutionary perspective and charac...

Abstract It is supposed that a region within an isotropic elastic solid undergoes a spontaneous change of form which, if the surrounding material were absent, would be some prescribed homogeneous deformation. Because of ...

We show that the large N limit of certain conformal field theories in various dimensions include in their Hilbert space a sector describing supergravity on the product of Anti-deSitter spacetimes, spheres and other compa...

This paper surveys the field of reinforcement learning from a computer-science perspective. It is written to be accessible to researchers familiar with machine learning. Both the historical basis of the field and a broad...

Polymer rheological behavior in an Enhanced Oil Recovery (EOR) project is one of the critical factors to determine whether the polymer injection would be effective to increase the oil production in a field. Due to compli...

High entropy alloys (HEAs) are barely 12 years old. The field has stimulated new ideas and has inspired the exploration of the vast composition space offered by multi-principal element alloys (MPEAs). Here we present a c...

Recently, it has been proposed by Maldacena that large N limits of certain conformal field theories in d dimensions can be described in terms of supergravity (and string theory) on the product of d 4-1dimensional AdS spa...

Purpose – The authors aim to present partial least squares (PLS) as an evolving approach to structural equation modeling (SEM), highlight its advantages and limitations and provide an overview of recent research on the...