相关论文: Derivatives of spin dynamics simulations

This paper discusses new simulation algorithms for stochastic chemical kinetics that exploit the linearity of the chemical master equation and its matrix exponential exact solution. These algorithms make use of various approximations of the…

Nonlinear dynamic models are widely used for characterizing functional forms of processes that govern complex biological pathway systems. Over the past decade, validation and further development of these models became possible due to data…

Model-independent identities and inequalities relating the various spin observables of a reaction are reviewed in a unified formalism, together with their implications for dynamical models, their physical interpretation, and the quantum…

We develop an efficient package for the simulation of nuclear magnetic resonance spin echo experiments to study the effects of strong electronic spin correlations on the dynamics of the nuclear spin ensemble. A mean-field model is used to…

Among the well-known methods to approximate derivatives of expectancies computed by Monte-Carlo simulations, averages of pathwise derivatives are often the easiest one to apply. Computing them via algorithmic differentiation typically does…

Using classical description of spin degrees of freedom, we extend recent formulation of the perfect-fluid hydrodynamics for spin-polarized fluids to the case including dissipation. Our work is based on the analysis of classical kinetic…

Many modern numerical methods in computational science and engineering rely on derivatives of mathematical models for the phenomena under investigation. The computation of these derivatives often represents the bottleneck in terms of…

In this paper, we study the design of pulse sequences for NMR spectroscopy as a problem of time optimal control of the unitary propagator. Radio frequency pulses are used in coherent spectroscopy to implement a unitary transfer of state.…

We present a numerically tractable formulation for computing the optimal control of the class of hybrid dynamical systems whose trajectories are continuous. Our formulation, an extension of existing relaxed-control techniques for switched…

The coupling of human movement dynamics with the function and design of wearable assistive devices is vital to better understand the interaction between the two. Advanced neuromuscular models and optimal control formulations provide the…

Variational data assimilation technique applied to identification of optimal approximations of derivatives near boundary is discussed in frames of one-dimensional wave equation. Simplicity of the equation and of its numerical scheme allows…

Speculative optimisation relies on the estimation of the probabilities that certain properties of the control flow are fulfilled. Concrete or estimated branch probabilities can be used for searching and constructing advantageous speculative…

Molecular dynamics simulations are an important tool for describing the evolution of a chemical system with time. However, these simulations are inherently held back either by the prohibitive cost of accurate electronic structure theory…

Efficient robot dynamics simulation is a fundamental problem key for robot control, identification, design and analysis. This research statement explores my current progress in this field and future research directions.

Derivatives play a critical role in computational statistics, examples being Bayesian inference using Hamiltonian Monte Carlo sampling and the training of neural networks. Automatic differentiation is a powerful tool to automate the…

One of the most effective techniques of experimental mathematics is to compute mathematical entities such as integrals, series or limits to high precision, then attempt to recognize the resulting numerical values. Recently these techniques…

We consider a double quantum dot system with two embedded and non-aligned spin impurities to manipulate the magnitude and polarization of the electron spin density. The device is attached to semi-infinite one-dimensional leads which are…

We consider insurance derivatives depending on an external physical risk process, for example a temperature in a low dimensional climate model. We assume that this process is correlated with a tradable financial asset. We derive optimal…

In this paper, derivation of different forms of dynamic formulation of spherical parallel robots (SPRs) is investigated. These formulations include the explicit dynamic forms, linear regressor, and Slotine-Li (SL) regressor, which are…

Molecular Dynamics simulations are becoming a powerful tool for examining and predicting atomic and molecular processes in various environment. The present review shows how, in the fields of plasma physics, chemistry and interactions with…