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This abstract seeks to introduce the ISSAC community to the DEWCAD project, which is based at Coventry University and the University of Bath, in the United Kingdom. The project seeks to push back the Doubly Exponential Wall of Cylindrical Algebraic Decomposition, through the integration of SAT/SMT technology, the extension of Lazard projection theory, and the development of new algorithms based on CAD technology but without producing CADs themselves. The project also seeks to develop applications of CAD and will focus on applications in the domains of economics and bio-network analysis., Comment: 5 pages. Accepted as short communication at ISSAC 2021

The field of exoplanetary science is making rapid progress both in statistical studies of exoplanet properties as well as in individual characterization. As space missions provide an emerging picture of formation and evolution of exoplanetary systems, the search for habitable worlds becomes one of the fundamental issues to address. To tackle such a complex challenge, we need to specify the conditions favorable for the origin, development and sustainment of life as we know it. This requires the understanding of global (astrospheric) and local (atmospheric, surface and internal) environments of exoplanets in the framework of the physical processes of the interaction between evolving planet-hosting stars along with exoplanetary evolution over geological timescales, and the resulting impact on climate and habitability of exoplanets. Feedbacks between astrophysical, physico-chemical atmospheric and geological processes can only be understood through interdisciplinary studies with the incorporation of progress in heliophysics, astrophysics, planetary, Earth sciences, astrobiology, and the origin of life communities. The assessment of the impacts of host stars on the climate and habitability of terrestrial (exo)planets and potential exomoons around them may significantly modify the extent and the location of the habitable zone and provide new directions for searching for signatures of life. Thus, characterization of stellar ionizing outputs becomes an important task for further understanding the extent of habitability in the universe. The goal of this white paper is to identify and describe promising key research goals to aid the theoretical characterization and observational detection of ionizing radiation from quiescent and flaring upper atmospheres of planet hosts as well as properties of stellar coronal mass ejections and stellar energetic particle events., Comment: White Paper submitted to the Astronomy and Astrophysics Decadal Survey (Astro2020), 8 pages, 1 figure

We consider a problem from biological network analysis of determining regions in a parameter space over which there are multiple steady states for positive real values of variables and parameters. We describe multiple approaches to address the problem using tools from Symbolic Computation. We describe how progress was made to achieve semi-algebraic descriptions of the multistationarity regions of parameter space, and compare symbolic results to numerical methods. The biological networks studied are models of the mitogen-activated protein kinases (MAPK) network which has already consumed considerable effort using special insights into its structure of corresponding models. Our main example is a model with 11 equations in 11 variables and 19 parameters, 3 of which are of interest for symbolic treatment. The model also imposes positivity conditions on all variables and parameters. We apply combinations of symbolic computation methods designed for mixed equality/inequality systems, specifically virtual substitution, lazy real triangularization and cylindrical algebraic decomposition, as well as a simplification technique adapted from Gaussian elimination and graph theory. We are able to determine multistationarity of our main example over a 2-dimensional parameter space. We also study a second MAPK model and a symbolic grid sampling technique which can locate such regions in 3-dimensional parameter space., Comment: 60 pages - author preprint. Accepted in the Journal of Symbolic Computation

We consider problems originating in economics that may be solved automatically using mathematical software. We present and make freely available a new benchmark set of such problems. The problems have been shown to fall within the framework of non-linear real arithmetic, and so are in theory soluble via Quantifier Elimination (QE) technology as usually implemented in computer algebra systems. Further, they all can be phrased in prenex normal form with only existential quantifiers and so are also admissible to those Satisfiability Module Theory (SMT) solvers that support the QF_NRA. There is a great body of work considering QE and SMT application in science and engineering, but we demonstrate here that there is potential for this technology also in the social sciences., Comment: To appear in Proc. SC-Square 2018. Dataset described is hosted by Zenodo at: https://doi.org/10.5281/zenodo.1226892 . arXiv admin note: substantial text overlap with arXiv:1804.10037

We consider the use of Quantifier Elimination (QE) technology for automated reasoning in economics. There is a great body of work considering QE applications in science and engineering but we demonstrate here that it also has use in the social sciences. We explain how many suggested theorems in economics could either be proven, or even have their hypotheses shown to be inconsistent, automatically via QE. However, economists who this technology could benefit are usually unfamiliar with QE, and the use of mathematical software generally. This motivated the development of a Mathematica Package TheoryGuru, whose purpose is to lower the costs of applying QE to economics. We describe the package's functionality and give examples of its use., Comment: To appear in Proc ICMS 2018

We show that a strong well-based cylindrical algebraic decomposition P of a bounded semi-algebraic set is a regular cell decomposition, in any dimension and independently of the method by which P is constructed. Being well-based is a global condition on P that holds for the output of many widely used algorithms. We also show the same for S of dimension at most 3 and P a strong cylindrical algebraic decomposition that is locally boundary simply connected: this is a purely local extra condition.

Symbolic Computation and Satisfiability Checking are two research areas, both having their individual scientific focus but sharing also common interests in the development, implementation and application of decision procedures for arithmetic theories. Despite their commonalities, the two communities are rather weakly connected. The aim of our newly accepted SC-square project (H2020-FETOPEN-CSA) is to strengthen the connection between these communities by creating common platforms, initiating interaction and exchange, identifying common challenges, and developing a common roadmap from theory along the way to tools and (industrial) applications. In this paper we report on the aims and on the first activities of this project, and formalise some relevant challenges for the unified SC-square community.

Symbolic Computation and Satisfiability Checking are viewed as individual research areas, but they share common interests in the development, implementation and application of decision procedures for arithmetic theories. Despite these commonalities, the two communities are currently only weakly connected. We introduce a new project SC-square to build a joint community in this area, supported by a newly accepted EU (H2020-FETOPEN-CSA) project of the same name. We aim to strengthen the connection between these communities by creating common platforms, initiating interaction and exchange, identifying common challenges, and developing a common roadmap. This abstract and accompanying poster describes the motivation and aims for the project, and reports on the first activities., Comment: 3 page Extended Abstract to accompany an ISSAC 2016 poster. Poster available at http://www.sc-square.org/SC2-AnnouncementPoster.pdf

The SDSS III APOGEE survey recently identified two new $\sigma$ Ori E type candidates, HD 345439 and HD 23478, which are a rare subset of rapidly rotating massive stars whose large (kGauss) magnetic fields confine circumstellar material around these systems. Our analysis of multi-epoch photometric observations of HD 345439 from the KELT, SuperWASP, and ASAS surveys reveals the presence of a $\sim$0.7701 day period in each dataset, suggesting the system is amongst the faster known $\sigma$ Ori E analogs. We also see clear evidence that the strength of H-alpha, H I Brackett series lines, and He I lines also vary on a $\sim$0.7701 day period from our analysis of multi-epoch, multi-wavelength spectroscopic monitoring of the system from the APO 3.5m telescope. We trace the evolution of select emission line profiles in the system, and observe coherent line profile variability in both optical and infrared H I lines, as expected for rigidly rotating magnetosphere stars. We also analyze the evolution of the H I Br-11 line strength and line profile in multi-epoch observations of HD 23478 from the SDSS-III APOGEE instrument. The observed periodic behavior is consistent with that recently reported by Sikora and collaborators in optical spectra., Comment: Accepted in ApJL

We present the results of a blind exercise to test the recoverability of stellar rotation and differential rotation in Kepler light curves. The simulated light curves lasted 1000 days and included activity cycles, Sun-like butterfly patterns, differential rotation and spot evolution. The range of rotation periods, activity levels and spot lifetime were chosen to be representative of the Kepler data of solar like stars. Of the 1000 simulated light curves, 770 were injected into actual quiescent Kepler light curves to simulate Kepler noise. The test also included five 1000-day segments of the Sun's total irradiance variations at different points in the Sun's activity cycle. Five teams took part in the blind exercise, plus two teams who participated after the content of the light curves had been released. The methods used included Lomb-Scargle periodograms and variants thereof, auto-correlation function, and wavelet-based analyses, plus spot modelling to search for differential rotation. The results show that the `overall' period is well recovered for stars exhibiting low and moderate activity levels. Most teams reported values within 10% of the true value in 70% of the cases. There was, however, little correlation between the reported and simulated values of the differential rotation shear, suggesting that differential rotation studies based on full-disk light curves alone need to be treated with caution, at least for solar-type stars. The simulated light curves and associated parameters are available online for the community to test their own methods., Comment: Accepted for publication in MNRAS. Accepted, 13 April 2015. Received, 26 March 2015; in original form, 9 November 2014

A new algorithm to compute cylindrical algebraic decompositions (CADs) is presented, building on two recent advances. Firstly, the output is truth table invariant (a TTICAD) meaning given formulae have constant truth value on each cell of the decomposition. Secondly, the computation uses regular chains theory to first build a cylindrical decomposition of complex space (CCD) incrementally by polynomial. Significant modification of the regular chains technology was used to achieve the more sophisticated invariance criteria. Experimental results on an implementation in the RegularChains Library for Maple verify that combining these advances gives an algorithm superior to its individual components and competitive with the state of the art.

Cylindrical algebraic decompositions (CADs) are a key tool in real algebraic geometry, used primarily for eliminating quantifiers over the reals and studying semi-algebraic sets. In this paper we introduce cylindrical algebraic sub-decompositions (sub-CADs), which are subsets of CADs containing all the information needed to specify a solution for a given problem. We define two new types of sub-CAD: variety sub-CADs which are those cells in a CAD lying on a designated variety; and layered sub-CADs which have only those cells of dimension higher than a specified value. We present algorithms to produce these and describe how the two approaches may be combined with each other and the recent theory of truth-table invariant CAD. We give a complexity analysis showing that these techniques can offer substantial theoretical savings, which is supported by experimentation using an implementation in Maple., Comment: 26 pages

We present and discuss an extensive data set for the non-Blazhko ab-type RR Lyrae star SDSSJ015450+001501, including optical SDSS ugriz light curves and spectroscopic data, LINEAR and CSS unfiltered optical light curves, and infrared 2MASS JHKs and WISE W1 and W2 light curves. Most notably, light curves obtained by 2MASS include close to 9000 photometric measures collected over 3.3 years and provide exceedingly precise view of near-IR variability. These data demonstrate that static atmosphere models are insufficient to explain multi-band photometric light curve behavior and present strong constraints for non-linear pulsation models for RR Lyrae stars. It is a challenge to modelers to produce theoretical light curves that can explain data presented here, which we make publicly available., Comment: 8 pages, 8 figures. Accepted for publication in ApJ. Online tables are available upon request, or can be downloaded the first author's website

Accurate and comprehensible knowledge about the position of branch cuts is essential for correctly working with multi-valued functions, such as the square root and logarithm. We discuss the new tools in Maple 17 for calculating and visualising the branch cuts of such functions, and others built up from them. The cuts are described in an intuitive and accurate form, offering substantial improvement on the descriptions previously available.

We use density functional theory to quantify finite size and shape effects for gold nanoclusters. We concentrate on the computation of binding energy as a function of bond length for icosahedral and cuboctohedral clusters. We find that the cuboctoheral gold clusters have lower energy for 13 atoms. For 55 atoms we find that the icosahedral gold clusters have lower binding energy. We also introduce a one parameter family of geometries that interpolate between the icosahedral and cuboctohedral clusters that is parametrized by an angle variable. We determine the binding energy dependence on shape as a function of the angle variable for 13 and 55 atom clusters with a minimum at the cuboctohedral point and icosahedral point respectively. We also compute the binding energy for the 147 atom gold nanocluster and show that the binding energy of the icosahedral cluster is lower than the 147 atom cuboctohedral gold cluster. We also compute the binding energy of the $Au_{55}O_2$ molecule with possible applications to catalysis., Comment: 15 pages, 12 figures

Exact calculations of collective excitations and charge/spin (pseudo)gaps in an ensemble of bipartite and nonbipartite clusters yield level crossing degeneracies, spin-charge separation, condensation and recombination of electron charge and spin, driven by interaction strength, inter-site couplings and temperature. Near crossing degeneracies, the electron configurations of the lowest energies control the physics of electronic pairing, phase separation and magnetic transitions. Rigorous conditions are found for the smooth and dramatic phase transitions with competing stable and unstable inhomogeneities. Condensation of electron charge and spin degrees at various temperatures offers a new mechanism of pairing and a possible route to superconductivity in inhomogeneous systems, different from the BCS scenario. Small bipartite and frustrated clusters exhibit charge and spin inhomogeneities in many respects typical for nano and heterostructured materials. The calculated phase diagrams in various geometries may be linked to atomic scale experiments in high T$_c$ cuprates, manganites and other concentrated transition metal oxides.

We have developed a Scalable Linear Augmented Slater-Type Orbital (LASTO) method for electronic-structure calculations on free-standing atomic clusters. As with other linear methods we solve the Schr\"odinger equation using a mixed basis set consisting of numerical functions inside atom-centered spheres and matched onto tail functions outside. The tail functions are Slater-type orbitals, which are localized, exponentially decaying functions. To solve the Poisson equation between spheres, we use a finite difference method replacing the rapidly varying charge density inside the spheres with a smoothed density with the same multipole moments. We use multigrid techniques on the mesh, which yield the Coulomb potential on the spheres and in turn defines the potential inside via a Dirichlet problem. To solve the linear eigen-problem, we use ScaLAPACK, a well-developed package to solve large eigensystems with dense matrices. We have tested the method on small clusters of palladium., Comment: 17 pages, 7 figures, 3 tables

Electron pairing and ferromagnetism in various cluster geometries are studied with emphasis on tetrahedron and square pyramid under variation of interaction strength, electron doping and temperature. These exact calculations of charge and spin collective excitations and pseudogaps yield intriguing insights into level crossing degeneracies, phase separation and condensation. Criteria for spin-charge separation and reconciliation driven by interaction strength, next nearest coupling and temperature are found. Phase diagrams resemble a number of inhomogeneous, coherent and incoherent nanoscale phases seen recently in high T$_c$ cuprates, manganites and CMR nanomaterials., Comment: 5 pages, 5 figures

Time-resolved CCD photometry is presented of the V~17 optical counterpart of the newly-discovered, hard-X-ray-emitting polar Swift J2619.4+2619. A total of ~20 hr of data obtained over five nights in various bandpasses (B, V, R, and I) reveals a strong quasi-sinusoidal modulation in the light curve at a best-fitting period of 0.1254 d (3.01 hr), which we associate with the orbital period of the system (one-day aliases of this period at 0.1114 d and 0.1435 d are considered, but appear to be ruled out by our analysis). The amplitude of the modulation increases with wavelength from ~0.8 mag in B to ~1.1 mag in R and I. The increase in amplitude with wavelength is typical of polar systems where the modulated radiation comes from cyclotron emission. The combination of the relatively long orbital period and the emission of hard X-rays suggest that Swift J2619.4+2619 may be a good candidate for an asynchronous polar system., Comment: 15 pages, 5 figures, Accepted for publication in the April 2008 PASP

The exact numerical diagonalization and thermodynamics in an ensemble of small Hubbard clusters in the ground state and finite temperatures reveal intriguing insights into the nascent charge and spin pairings, Bose condensation and ferromagnetism in nanoclusters. The phase diagram off half filling strongly suggests the existence of subsequent transitions from electron pairing into unsaturated and saturated ferromagnetic Mott-Hubbard like insulators, driven by electron repulsion. Rigorous criteria for the existence of quantum critical points in the ground state and corresponding crossovers at finite temperatures are formulated. The phase diagram for 2x4-site clusters illustrates how these features are scaled with cluster size. The phase separation and electron pairing, monitored by a magnetic field and electron doping, surprisingly resemble phase diagrams in the family of doped high Tc cuprates., Comment: 10 pages, 6 figures

Exact thermal studies of small (4-site, 5-site and 8-site) Hubbard clusters with local electron repulsion yield intriguing insight into phase separation, charge-spin separation, pseudogaps, condensation, in particular, pairing fluctuations away from half filling (near optimal doping). These exact calculations, carried out in canonical (i.e. for fixed electron number N) and grand canonical (i.e. fixed chemical potential $\mu$) ensembles, monitoring variations in temperature T and magnetic field h, show rich phase diagrams in a T-$\mu$ space consisting of pairing fluctuations and signatures of condensation. These electron pairing instabilities are seen when the onsite Coulomb interaction U is smaller than a critical value U$_c$(T) and they point to a possible electron pairing mechanism. The specific heat, magnetization, charge pairing and spin pairing provide strong support for the existence of competing (paired and unpaired) phases near optimal doping in these clusters as observed in recent experiments in doped La$_{2-x}$Sr$_x$CuO$_{4+y}$ high T$_c$ superconductors., Comment: 5 pages, 5 figures

Recently, there has been an increased interest in first-principles calculations of the actinides as well as in finding the new materials which display surface magnetism. We predict the existence of a magnetic moment on the uranium (001) surface by performing density functional calculations for a slab geometry in the generalized gradient and local spin density approximations with included spin orbit coupling. The ferromagnetic phase is energetically favored for all geometries. The calculated total magnetic moment, $0.65{\mu_{B}}$, is stable on films of different thickness and it should be observable experimentally., Comment: 4 pages, 4 figures

We use synchrotron x-ray and precision electron diffraction techniques to determine accurately the structure factors of selected reflections that are sensitive to the valence electron distribution in the superconductor MgB2. These values deviate significantly from calculated structure factors using the scattering factors of free atoms, but agree well with our calculated structure factors based on density functional theory. Having experimentally established the reliability of our firstprinciple calculated structure factors, we present electron density maps of the redistribution of the valence electrons that takes place when hypothetical free atoms of Mg and B in MgB2 interact to form the real crystal.