Related papers: An Exact Bitwise Reversible Integrator
We present a novel approach for solving quantified bit-vector formulas in Satisfiability Modulo Theories (SMT) based on computing symbolic inverses of bit-vector operators. We derive conditions that precisely characterize when bit-vector…
Computational efficiency demands discretised, hierarchically organised, and individually adaptive time-step sizes (known as the block-step scheme) for the time integration of N-body models. However, most existing N-body codes adapt…
In the last decades, great achievements have been made in the development of computing machines. However, due to exponential growth of transistor density and in particular due to tremendously increasing power consumption, researchers expect…
We propose a forward-backward splitting dynamical system for solving inclusion problems of the form $0\in A(x)+B(x)$ in Hilbert spaces, where $A$ is a maximal operator and $B$ is a single-valued operator. Involved operators are assumed to…
We develop an explicit, second-order, variational time integrator for full body dynamics that preserves the momenta of the continuous dynamics, such as linear and angular momenta, and exhibits near-conservation of total energy over…
We here investigate the efficient implementation of the energy-conserving methods named Hamiltonian Boundary Value Methods (HBVMs) recently introduced for the numerical solution of Hamiltonian problems. In this note, we describe an…
By recursively solving the underlying Schr\" odinger equation, we set up an efficient systematic approach for deriving analytic expressions for discretized effective actions. With this we obtain discrete short-time propagators for both one…
A technique used to accelerate an adaptive optics simulation platform using reconfigurable logic is described. The performance of parts of this simulation have been improved by up to 600 times (reducing computation times by this factor) by…
We compare exponential-type integrators for the numerical time-propagation of the equations of motion arising in the multi-configuration time-dependent Hartree-Fock method for the approximation of the high-dimensional multi-particle…
Trigonometric time integrators are introduced as a class of explicit numerical methods for quasilinear wave equations. Second-order convergence for the semi-discretization in time with these integrators is shown for a sufficiently regular…
Now a day reversible logic is an attractive research area due to its low power consumption in the area of VLSI circuit design. The reversible logic gate is utilized to optimize power consumption by a feature of retrieving input logic from…
Differentiable simulators continue to push the state of the art across a range of domains including computational physics, robotics, and machine learning. Their main value is the ability to compute gradients of physical processes, which…
When simulating molecular systems using deterministic equations of motion (e.g., Newtonian dynamics), such equations are generally numerically integrated according to a well-developed set of algorithms that share commonly agreed-upon…
The numerical solution of an ordinary differential equation can be interpreted as the exact solution of a nearby modified equation. Investigating the behaviour of numerical solutions by analysing the modified equation is known as backward…
We focus on non-stationary Maxwell equations defined on a regular patch of elements as considered in the isogeometric analysis (IGA). We apply the time-integration scheme following the ideas developed by the finite difference community [M.…
Inverse optimization, determining parameters of an optimization problem that render a given solution optimal, has received increasing attention in recent years. While significant inverse optimization literature exists for convex…
Emulators that can bypass computationally expensive scientific calculations with high accuracy and speed can enable new studies of fundamental science as well as more potential applications. In this work we discuss solving a system of…
In this work, we describe various improved implementations of the mapping approach to surface hopping (MASH) for simulating nonadiabatic dynamics. These include time-reversible and piecewise-continuous integrators, which is only formally…
We construct several variational integrators--integrators based on a discrete variational principle--for systems with Lagrangians of the form L = L_A + epsilon L_B, with epsilon << 1, where L_A describes an integrable system. These…
Simulations of quantum chemistry and quantum materials are believed to be among the most important potential applications of quantum information processors, but realizing practical quantum advantage for such problems is challenging. Here,…