Search results for "computation"
showing 10 items of 7362 documents
On a nonlinear Schrödinger equation for nucleons in one space dimension
2021
We study a 1D nonlinear Schrödinger equation appearing in the description of a particle inside an atomic nucleus. For various nonlinearities, the ground states are discussed and given in explicit form. Their stability is studied numerically via the time evolution of perturbed ground states. In the time evolution of general localized initial data, they are shown to appear in the long time behaviour of certain cases.
Finnish teachers’ and students’ programming motivation and their role in teaching and learning computational thinking
2022
Introduction: Despite the growing importance of teaching and learning computational thinking (CT) through programming in schools, research has shown major individual differences in teachers’ instruction emphasis and students’ skills in these topics. Objective: This study aims to shed further light on the role that teachers’ and students’ programming motivation plays in CT. Methods: The topic is approached from the viewpoint of the self-determination theory, which can help to understand teachers’ instruction and students’ learning. Our sample consisted of Finnish Grade 8 teachers (N = 1,853) and students (N = 2,546) who participated in the International Computer and Information Literacy Stud…
Decoherence without entanglement and quantum Darwinism
2020
It is often assumed that decoherence arises as a result of the entangling interaction between a quantum system and its environment, as a consequence of which the environment effectively measures the system, thus washing away its quantum properties. Moreover, this interaction results in the emergence of a classical objective reality, as described by quantum Darwinism. In this Rapid Communication, we show that the idea that entanglement is needed for decoherence is imprecise. We propose a dynamical mixing mechanism capable of inducing decoherence dynamics on a system without creating any entanglement with its quantum environment. We illustrate this mechanism by introducing a simple and exactl…
Solar radiative effects of a Saharan dust plume observed during SAMUM assuming spheroidal model particles
2011
The solar optical properties of Saharan mineral dust observed during the Saharan Mineral Dust Experiment (SAMUM) were explored based on measured size-number distributions and chemical composition. The size-resolved complex refractive index of the dust was derived with real parts of 1.51–1.55 and imaginary parts of 0.0008–0.006 at 550 nm wavelength. At this spectral range a single scattering albedo ω o and an asymmetry parameter g of about 0.8 were derived. These values were largely determined by the presence of coarse particles. Backscatter coefficients and lidar ratios calculated with Mie theory (spherical particles) were not found to be in agreement with independently measured lidar data.…
Surrogate-assisted multicriteria optimization: Complexities, prospective solutions, and business case
2017
Complexity in solving real-world multicriteria optimization problems often stems from the fact that complex, expensive, and/or time-consuming simulation tools or physical experiments are used to evaluate solutions to a problem. In such settings, it is common to use efficient computational models, often known as surrogates or metamodels, to approximate the outcome (objective or constraint function value) of a simulation or physical experiment. The presence of multiple objective functions poses an additional layer of complexity for surrogate-assisted optimization. For example, complexities may relate to the appropriate selection of metamodels for the individual objective functions, extensive …
Practices and Infrastructures for Machine Learning Systems : An Interview Study in Finnish Organizations
2022
Using interviews, we investigated the practices and toolchains for machine learning (ML)-enabled systems from 16 organizations across various domains in Finland. We observed some well-established artificial intelligence engineering approaches, but practices and tools are still needed for the testing and monitoring of ML-enabled systems. Peer reviewed
Benson group additivity values of phosphines and phosphine oxides: Fast and accurate computational thermochemistry of organophosphorus species
2018
Composite quantum chemical methods W1X-1 and CBS-QB3 are used to calculate the gas phase standard enthalpy of formation, entropy, and heat capacity of 38 phosphines and phosphine oxides for which reliable experimental thermochemical information is limited or simply nonexistent. For alkyl phosphines and phosphine oxides, the W1X-1, and CBS-QB3 results are mutually consistent and in excellent agreement with available G3X values and empirical data. In the case of aryl-substituted species, different computational methods show more variation, with G3X enthalpies being furthest from experimental values. The calculated thermochemical data are subsequently used to determine Benson group additivity …
Structure ofD-ribonic acid-dimethyltin(IV) in coordinating solvents: an experimental and DFT119Sn NMR study
2006
We have investigated a newly synthesized complex of D-ribonic acid with dimethyltin(IV). The structure of the complex in solution has been characterized by means of 1 H, 13 C, and 119 Sn NMR and by DFT calculations. The comparison of experimental and computational results allowed the determination of the stable conformation in solution as well as the detection of a dimerization process. Moreover, evidence is given of active coordination of the metal by the solvent.
Biharmonic obstacle problem: guaranteed and computable error bounds for approximate solutions
2020
The paper is concerned with a free boundary problem generated by the biharmonic operator and an obstacle. The main goal is to deduce a fully guaranteed upper bound of the difference between the exact minimizer u and any function (approximation) from the corresponding energy class (which consists of the functions in $H^2$ satisfying the prescribed boundary conditions and the restrictions stipulated by the obstacle). For this purpose we use the duality method of the calculus of variations and general type error identities earlier derived for a wide class of convex variational problems. By this method, we define a combined primal--dual measure of error. It contains four terms of different natu…
Gradient and Lipschitz Estimates for Tug-of-War Type Games
2021
We define a random step size tug-of-war game and show that the gradient of a value function exists almost everywhere. We also prove that the gradients of value functions are uniformly bounded and converge weakly to the gradient of the corresponding $p$-harmonic function. Moreover, we establish an improved Lipschitz estimate when boundary values are close to a plane. Such estimates are known to play a key role in the higher regularity theory of partial differential equations. The proofs are based on cancellation and coupling methods as well as an improved version of the cylinder walk argument. peerReviewed