69 research outputs found
Global Optimization by Basin-Hopping and the Lowest Energy Structures of Lennard-Jones Clusters Containing up to 110 Atoms
We describe a global optimization technique using `basin-hopping' in which
the potential energy surface is transformed into a collection of
interpenetrating staircases. This method has been designed to exploit the
features which recent work suggests must be present in an energy landscape for
efficient relaxation to the global minimum. The transformation associates any
point in configuration space with the local minimum obtained by a geometry
optimization started from that point, effectively removing transition state
regions from the problem. However, unlike other methods based upon hypersurface
deformation, this transformation does not change the global minimum. The lowest
known structures are located for all Lennard-Jones clusters up to 110 atoms,
including a number that have never been found before in unbiased searches.Comment: 8 pages, 3 figures, revte
Special Functions Related to Dedekind Type DC-Sums and their Applications
In this paper we construct trigonometric functions of the sum T_{p}(h,k),
which is called Dedekind type DC-(Dahee and Changhee) sums. We establish
analytic properties of this sum. We find trigonometric representations of this
sum. We prove reciprocity theorem of this sums. Furthermore, we obtain
relations between the Clausen functions, Polylogarithm function, Hurwitz zeta
function, generalized Lambert series (G-series), Hardy-Berndt sums and the sum
T_{p}(h,k). We also give some applications related to these sums and functions
Aspergillus as a multi-purpose cell factory: current status and perspectives
Aspergilli have a long history in biotechnology as expression platforms for the production of food ingredients, pharmaceuticals and enzymes. The achievements made during the last years, however, have the potential to revolutionize Aspergillus biotechnology and to assure Aspergillus a dominant place among microbial cell factories. This mini-review will highlight most recent breakthroughs in fundamental and applied Aspergillus research with a focus on new molecular tools, techniques and products. New trends and concepts related to Aspergillus genomics and systems biology will be discussed as well as the challenges that have to be met to integrate omics data with metabolic engineering attempts
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