Related papers: Automated Calculation and Simulation Systems
An overview of computational methods to describe high-dimensional potential energy surfaces suitable for atomistic simulations is given. Particular emphasis is put on accuracy, computability, transferability and extensibility of the methods…
We investigate the simulation methods for a large family of stable random fields that appeared in the recent literature, known as the Karlin stable set-indexed processes. We exploit a new representation and implement the procedure…
The online tutoring system CAPA was implemented at Afeka College in the academic year 2000-2001 in calculus based physics courses. It was used also in the academic year 2001-2002 and was very successful in improving understanding and…
A brief introduction to the technique of Monte Carlo simulations in statistical physics is presented. The topics covered include statistical ensembles random and pseudo random numbers, random sampling techniques, importance sampling, Markov…
We study large deviations for the current of one-dimensional stochastic particle systems with periodic boundary conditions. Following a recent approach based on an earlier result by Jensen and Varadhan, we compare several candidates for…
Statistical learning algorithms are finding more and more applications in science and technology. Atomic-scale modeling is no exception, with machine learning becoming commonplace as a tool to predict energy, forces and properties of…
Considering recent advancements and successes in the development of efficient quantum algorithms for electronic structure calculations --- alongside impressive results using machine learning techniques for computation --- hybridizing…
This paper proposes an efficient parallelised computation of field/circuit coupled systems co-simulated with the Waveform Relaxation (WR) technique. The main idea of the introduced approach lies in application of the parallel-in-time method…
The calculation of excited state energies of electronic structure Hamiltonians has many important applications, such as the calculation of optical spectra and reaction rates. While low-depth quantum algorithms, such as the variational…
Computation, the use of a computer to solve, simulate, or visualize a physical problem, has revolutionized how physics research is done. Computation is used widely to model systems, to simulate experiments, and to analyze data. Yet, in most…
The last decade has witnessed a number of important and exciting developments that had been achieved for improving recurrence plot based data analysis and to widen its application potential. We will give a brief overview about important and…
We implement in a reactive programming framework a simulation of three aspects of quantum mechanics: self-interference, state superposition, and entanglement. The simulation basically consists in a cellular automaton embedded in a…
This research applies concepts from algorithmic probability to Boolean and quantum combinatorial logic circuits. A tutorial-style introduction to states and various notions of the complexity of states are presented. Thereafter, the…
The availability of computational modeling tools for subatomic physics (Form, FeynArts, FormCalc, and FeynCalc) has made it possible to perform sophisticated calculations in perturbative quantum field theory. We have adapted these packages…
The determination of thermal and vibrational relaxation rates of triatomic systems suitable for application in hypersonic model calculations is discussed. For this, potential energy surfaces for ground and electronically excited state…
In the past few years there has been a tumultuous activity aimed at introducing novel conceptual schemes for quantum computing. The approach proposed in (Marzuoli A and Rasetti M 2002, 2005a) relies on the (re)coupling theory of SU(2)…
In this paper, we consider the composition of two independent processes : one process corresponds to position and the other one to time. Such processes will be called iterated processes. We first propose an algorithm based on the Euler…
The problem of spontaneous emission is studied by a direct computer simulation of the dynamics of a combined system: atom + radiation field. The parameters of the discrete finite model, including up to 20k field oscillators, have been…
Atypical, rare trajectories of dynamical systems are important: they are often the paths for chemical reactions, the haven of (relative) stability of planetary systems, the rogue waves that are detected in oil platforms, the structures that…
Can we reduce Quantum Field Theory (QFT) to a quantum computation? Can physics be simulated by a quantum computer? Do we believe that a quantum field is ultimately made of a numerable set of quantum systems that are unitarily interacting? A…