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Human society has progressed by polluting ecosystems since at least the early industrial revolution. Large amounts of harmful chemical compounds have been dispersed in soils, seas, ground waters and wildlife habitats by industrial and anthropomorphic activities over the last two centuries, leading to a persistent toxicological load on the environment. Pollution is a threat to biodiversity, to the health of ecosystems, and to all living organisms. Advances in environmental sciences are needed so that pollutants can be distinguished from harmless compounds. New methods could ease the enormous task of sorting out hazardous chemicals, and also facilitate the study of existing problems in ecotoxicology, which are often hampered by insufficient data. In our research, we apply the methods of computational chemistry to predict the interactions of various toxins, carcinogens, nanoparticles and xenobiotics with proteins, DNA, and cell membranes. Methods such as molecular dynamics simulations, docking, and quantum chemistry are at the core of these studies, each having its role in facilitating the enormous task of transforming in vitro ecotoxicology to in silico ecotoxicology. We perform detailed studies of a few compounds and receptors, as well as larger, more comprehensive groups of compounds. We also outline approaches for drawing computational conclusions about the molecular behaviour of various potential environmental toxins by modelling their interactions with DNA and proteins, and we use partition coefficients to describe their ability to permeate the cell membrane. Methods for studying the purification of pollutants from essential sources, such as water, are proposed. We also investigate the emerging problem of nanoparticle pollution and propose computational approaches to model the formation of nanoparticles from combustion emissions and the interactions of such particles with atmospheric components.

Simulations of galactic vorticity require the development of complex systems of equations to generate models that account for the gravity, mass, kinetic, and electromagnetic effects which govern cluster behaviour. In this study, a relationship is outlined through a series of steps, between the Einstein equations, the Ricci equations and the gravitational model of comoslogical bodies. This series of steps are then followed by the generation of a group of equations, including a supersymmetric equation which describes vorticity under the presence of an electromagnetic field for quantized systems. The relationship between the Einstein equations and the equation for quantum vorticity is ultimately the described and we outline the model of galactic vorticity through a nonlinear cluster model, which has direct similarities to the Kosterlitz-Thouless model for vorticity in quasi-ordered systems. The resulting supersymmetric model for describing galactic vorticity we here show suggests that galactic vorticity broke symmetry already at T=0, and by the effect of the galactic halo around the periphery, generates nonlinear vorticity through the shear property of the wavefunction. Most interestingly, this property of the wavefunction, which generates autonomous vorticity by the mere presence of a halo-boundary of the galactic cluster is independent of temperature. We describe by this that the nonlinear relationship between vortices in the cluster leads to a cumulative effect which generates an exchange interaction at the macroscopic level between clusters which is the source of irregular moment of inertia of galaxies, that has been attributed to dark matter. Our theory is thus that galactic rotations are both fueled by the mass of the galaxy by classical physics means as well as the nonlinear vortex interaction between clusters. Modeling of quantum vorticity and turbulence in two- and three-dimensional systems.

Superconductors are principal components used in resonance imaging (MRI) and nuclear magnetic resonance (NMR) machines, tokamaks reactors, in particle accelerators and in other components in advanced technologies. Electromagnetic vorticity plays a significant role in superconductivity, as it allows for the generation of holes which permit electrons to transfer from one electronic orbital to the next without resistance through a superconductive band. Modeling and predicting the behaviour of electromagnetic fields for superconductors is therefore important, and requires the development of new operators and mathematical models. We here apply a supersymmetric model to study the arise and dynamics of vorticity in a superconductor with a slit. We compare the results to existing studies, and show that a small modification of the Ginzburg-Landau model, taking into account the effects of supersymmetry, can significantly reduce the time of formation of quantum vorticity in numerical models. We discuss the results and present outlooks and prospects for using supersymmetry in modeling superconductive holes/vortices.

Environmental pollution and contamination is a continuous challenge that industrialized and developing countries are facing, affecting entire ecosystems, threatening biodiversity, reducing health and life quality of humans and contributing to the extinction of endangered species. The oceans and seas are the most vulnerable ecosystems to anthropogenic impacts, where heavy metals and other pollutants affect the viability of marine species. In this review, the focus is put on the widespread contamination of heavy metals on the Baltic sea and its marine ecosystems. Three parts are considered: the industrial sources of heavy metals in along the entire Baltic coast and in the Baltic sea, the levels and concentrations of heavy metals found in various phases of the environment (sediments, rivers, lakes and seas) and the accumulation of heavy metals in fish as well as avian species. The results from this review show that the heavy metal-releasing industries impact the marine environment for several decades, and that more efforts are required to restitute the Baltic sea to its original state. Computational Ecotoxicology

Non-self adjoint operators describe problems in physics and computational sciences which lack symmetry and unitarity, and which display non-trivial solutions on an unbounded interval in Hilbert or Banach space. Non-self adjoint operators describe for instance problems in quantum mechanics and quantum theory, where the resolvent norm is approximated in Hilbert space, and the resolvent set includes quantizable infinitely differentiable $C^{\infty}$ functions within a bounded interval. Non-self adjoint operators describe also problems in fluid mechanics, where the problem is usually analysed in Banach space, and where as also for quantum-problems, one can generate and analyse the spectral properties in order to identify the behaviour of the operator. Spectral analysis includes both the computation of the spectrum of eigenvalues of an operator, and also the computation of pseudospectra, which are important to study a perturbed state of the operator under consideration. Spectra of non-self adjoint operators are here studied under perturbations, and compared to the ground state spectrum. The eigenvalue distribution is furthermore analysed and compared between ground states and perturbed states. We further endeavour on the properties of essential spectra, and inessential spectra, which both describe the domain of eigenvalues of non-self adjoint operators and analyse in depth the properties of discrete spectra, which arise inevitably upon the quantization and application of boundary conditions on non-self adjoint operators. We include furthermore a survey on methods for solving non-self adjoint problems, using semi-group theory, perturbation theory and spectral inclusions and expansions and study numerically and theoretically a series of non-self adjoint operators in four distinct publications. Modeling of quantum vorticity and turbulence in two- and three-dimensional system

Bose-einstein condensates have received wide attention in the last decades given their unique properties. In this study, we apply supersymmetry rules on an existing Hamiltonian and derive a new model which represents an inverse scattering problem with similarities to the circuit and the harmonic oscillator equations. The new Hamiltonian is analysed and its numerical solutions are presented. The results suggest that the SUSY Hamiltonian describes the formation of vortices in a homogeneous magnetic field in a rotating system. Modeling of quantum vorticity and turbulence in two- and three-dimensional systems

Vortexes in three dimensional systems are an emerging topic of study in the realm of quantum physics, particle physics and magnetism. In this study we describe a new Hamiltonian, and solve it numerically for the description of vortices in a spherical model subjected to an electromagnetic field. The numerical analysis shows also that supersymmetric Hamiltonian describes quantized orbitals for atomic systems with vorticity included, which is to our knowledge novel and also describes electricity as composed of quasi-symmetric vortex bundles. Further work on analytical solutions is under development. The 3D solutions of the Hamiltonian are relevant for nuclear physics, in the physics of elementary particles, in geophysics, and in the physics of stellar bodies. Modeling of quantum vorticity and turbulence in two- and three-dimensional systems.

Macrophysical phenomena, such as turbulence, vorticity are normally modelled using fluid-mechanical differential equations and geodesics systems. Other methods may also be of importance to the meteorology community, such as quantum physical operators. In this study we use a novel Hamiltonian and study the vortex formation in the atmosphere of planet Earth under the effects of the gravity density stratification and the electromagnetic field of the planet. The results propose that vorticity in the atmosphere (high and low pressure systems) is driven in major part by the interplay between the earths magnetic field and gravity density. The results show that the quantized behaviour of atmospheric vortices lies in their dominant occurrence on the northern and southern hemispheres. The use of quantum mechanical operators in modelling planetary vorticity reveals also that these vortices arise from the core of the planet and manifest in a most pronounced manner on the surface of the earth where gravity density is experiencing an abrupt phase change. Further research is made on combining this model with earths atmospheric parameters, such as ocean temperatures and circulation, terrestrial oscillation and the sun's magnetic field. The results are important for future developments of climate and weather prediction models. Modeling of quantum vorticity and turbulence in two- and three-dimensional systems.

Cooling of beverages is of large interest. Here a theoretical idea of how microwave ovens can be usedfor cooling beverages is presented. The proposed theoretical idea based on heat transfer features a microwavesafe (isoprene rubber) torus shaped rubber ring (MWSR) holding a liquid (L) at room temperature. Fullerenoldissolved in acetone (L) inside MWSR (L) will absorb energy directly from the microwave radiation and therebyincrease its temperature. The liquid to be cooled (B) will also absorb energy from the microwave radiation, butthe net effect is the cooling of B as the heat transfer is faster in L than in B due to L’s lower boiling point andheat of vaporization. The cooling fan of the microwave oven facilitates the heat transfer mechanism. Thebeverage B is theoretically cooled from room temperature (20 °C) to around 4 °C in around 58 seconds. Basedon heat absorption of fullerenol—which could be transformed from liquid phase to vapour phase—a beverageliquid (300 g water) in a glass put inside the microwave oven could be cooled (reversely heated) by the heatgenerated by the microwave oven. The user of the proposed method would be able cool 300 ml of beverage toless than 4 °C in just a minute using consumer microwave ovens.