Symbolic Computation of Conservation Laws of Nonlinear Partial Differential Equations in Multi-dimensions

A direct method for the computation of polynomial conservation laws of polynomial systems of nonlinear partial differential equations (PDEs) in multi-dimensions is presented. The method avoids advanced differential-geometric tools. Instead, it is solely based on calculus, variational calculus, and linear algebra. Densities are constructed as linear combinations of scaling homogeneous terms with undetermined coefficients. The variational derivative (Euler operator) is used to compute the undetermined coefficients. The homotopy operator is used to compute the fluxes. The method is illustrated with nonlinear PDEs describing wave phenomena in fluid dynamics, plasma physics, and quantum physics. For PDEs with parameters, the method determines the conditions on the parameters so that a sequence of conserved densities might exist. The existence of a large number of conservation laws is a predictor for complete integrability. The method is algorithmic, applicable to a variety of PDEs, and can be implemented in computer algebra systems such as Mathematica, Maple, and REDUCE.Comment: To appear in: Thematic Issue on ``Mathematical Methods and Symbolic Calculation in Chemistry and Chemical Biology'' of the International Journal of Quantum Chemistry. Eds.: Michael Barnett and Frank Harris (2006

Representation of Lie algebra with application of particle physics

Symmetry has played an important role in various branches of physics, chemistry, biology and other important engineering application such as robotics, computer, vision etcm The representation of sl(3, C) Lie algebra is related with the symmetry of particles

Dynamic-Epistemic reasoning on distributed systems

We propose a new logic designed for modelling and reasoning about information flow and information exchange between spatially located (but potentially mobile), interconnected agents witnessing a distributed computation. This is a major problem in the field of distributed systems, covering many different issues, with potential applications from Computer Science and Economy to Chemistry and Systems Biology. Underpinning on the dual algebraical-coalgebraical characteristics of process calculi, we design a decidable and completely axiomatizad logic that combines the processalgebraical/ equational and the modal/coequational features and is developed for process-algebraical semantics. The construction is done by mixing operators from dynamic and epistemic logics with operators from spatial logics for distributed and mobile systems. This is the preliminary version of a paper that will appear in Proceedings of the second Conference on Algebra and Coalgebra in Computer Science (CALCO2007), LNCS 4624, Springer, 2007. The original publication is available at www.springerlink.co

Counting Complex Disordered States by Efficient Pattern Matching: Chromatic Polynomials and Potts Partition Functions

Counting problems, determining the number of possible states of a large system under certain constraints, play an important role in many areas of science. They naturally arise for complex disordered systems in physics and chemistry, in mathematical graph theory, and in computer science. Counting problems, however, are among the hardest problems to access computationally. Here, we suggest a novel method to access a benchmark counting problem, finding chromatic polynomials of graphs. We develop a vertex-oriented symbolic pattern matching algorithm that exploits the equivalence between the chromatic polynomial and the zero-temperature partition function of the Potts antiferromagnet on the same graph. Implementing this bottom-up algorithm using appropriate computer algebra, the new method outperforms standard top-down methods by several orders of magnitude, already for moderately sized graphs. As a first application, we compute chromatic polynomials of samples of the simple cubic lattice, for the first time computationally accessing three-dimensional lattices of physical relevance. The method offers straightforward generalizations to several other counting problems.Comment: 7 pages, 4 figure

Subtropical Real Root Finding

We describe a new incomplete but terminating method for real root finding for large multivariate polynomials. We take an abstract view of the polynomial as the set of exponent vectors associated with sign information on the coefficients. Then we employ linear programming to heuristically find roots. There is a specialized variant for roots with exclusively positive coordinates, which is of considerable interest for applications in chemistry and systems biology. An implementation of our method combining the computer algebra system Reduce with the linear programming solver Gurobi has been successfully applied to input data originating from established mathematical models used in these areas. We have solved several hundred problems with up to more than 800000 monomials in up to 10 variables with degrees up to 12. Our method has failed due to its incompleteness in less than 8 percent of the cases

Mathematics for Non-Science Majors Chemistry Course

A chemistry course developed for non-science majors has been taught at Virginia Commonwealth University for the past five years. CHEM 112 uses current event articles from science magazines to make use of a verbal channel of learning in non-science majors, but some mathematics is necessary. Examples are given of successful presentation of nuclear chemistry and data needed for a balanced discussion of global warming. Manipulation of symbols in balancing chemical and nuclear reactions, simple algebra, and logarithms for pH and unit analysis of simple stoichiometric conversions are fundamental to basic chemistry. The population of a voting democracy could benefit from basic education in the concepts of logarithms and algebra in one variable in order to function in a society of increasing dependence on technology