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Examples include the design of nextgeneration energy harvesting materials, modeling highenergy explosives, modeling decay of weapons systems, etc.The validity of MD simulations is limited by the accuracy of the potential energy function.An emerging research area is quantumMD, in which first principle quantum mechanical equations determine the electronic states, from which   ionic forces are calculated at every MD timestep.This project better incorporates quantum mechanical effects into MD simulation.This was enabled by our development of new machine learning methodologies.Specifically, we have developed an active learning framework to collect quantum mechanical reference data, from which we train <a href="http://www.targetmol.com/compound/Pamabrom">Targetmol's Pamabrom</a> neural network models.The method will generalize to other types of reference data.The ideal outcome of this project would be the test of the central hypothesis: the nature of the induced states in driven quantum matter depends on the nature of external drive: scalar, vector or tensorial.Our analysis suggested that such information is compressible.We exemplified this compressibility in topological information crucial for topology based device engineering and quantum computing platforms, and proposed an experimental protocol for its dynamical extraction.The technology is old and stateoftheart stations date from the s.Since VLF penetrates about meter of saltwater, it is our means of communication with nucleardeterrent submarines.Other strategic uses include military navigation systems employed duringafter global disaster or nuclear war and detection of hostile facilities deep underground.Current VLF transmitters are mhigh and often km across; a central tower is linked to surrounding masts by a network of cables in an attempt to increase efficiency.Additionally, a carpet of copper cables reduces power dissipated in the ground.Despite this complexitycost, VLF transmitters are inefficient, radiating only of transmitter power.Their size makes them very expensive, impossible to hide, vulnerable to attack and difficult to replace.From these, the two best candidates will be selected to provide smaller, cheaper, more efficient and more easily concealed replacements for current VLF transmitters.Based on the modeling work, it appears that two of the designs achieve a significant improvement in efficiencysizecomplexity compared to current VLF technology.Though at an early stage, tests of the demonstrator antennas offer support for this view.Applicable guidelines to predict physical stability of nanometerthick covalent heterostructures were based on phonon spectra analysis.These borides exhibit promising features to integrate a new generation of twodimensional materials.The project will develop a new computational capability that can be applied to advance modeling of photostability and photodegradation, and spincrossover induced sensitivity changes in new classes of explosive materials.The high level goals of the project are to develop a modeling capability to describe the spin dynamics in realistic materials and to apply the capability for the prediction, control and design of specific material properties.Under these extreme conditions materials properties are often difficult to measure and manipulate in wellcontrolled experiments and a reliable theoretical support is needed.These properties, such as the equation of state and transport properties, are critical for modeling in astrophysics, inertial confinement fusion, and weapons physics, making the ability to simulate and predict materials properties of particular importance.Our approach does not lead to the prohibitive computational scaling cost of the conventional numerical implementations, and is amenable to temperatures and pressures that are presently inaccessible by current approaches.

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