P. Deuflhard – författare
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3 produkter
3 produkter
Del 4 - Lecture Notes in Computational Science and Engineering
Computational Molecular Dynamics: Challenges, Methods, Ideas
Proceeding of the 2nd International Symposium on Algorithms for Macromolecular Modelling, Berlin, May 21–24, 1997
Häftad, Engelska, 1998
1 101 kr
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On May 21-24, 1997 the Second International Symposium on Algorithms for Macromolecular Modelling was held at the Konrad Zuse Zentrum in Berlin. The event brought together computational scientists in fields like biochemistry, biophysics, physical chemistry, or statistical physics and numerical analysts as well as computer scientists working on the advancement of algorithms, for a total of over 120 participants from 19 countries. In the course of the symposium, the speakers agreed to produce a representative volume that combines survey articles and original papers (all refereed) to give an impression of the present state of the art of Molecular Dynamics.The 29 articles of the book reflect the main topics of the Berlin meeting which were i) Conformational Dynamics, ii) Thermodynamic Modelling, iii) Advanced Time-Stepping Algorithms, iv) Quantum-Classical Simulations and Fast Force Field and v) Fast Force Field Evaluation.
Del 1739 - Lecture Notes in Mathematics
Computational Mathematics Driven by Industrial Problems
Lectures given at the 1st Session of the Centro Internazionale Matematico Estivo (C.I.M.E.) held in Martina Franca, Italy, June 21-27, 1999
Häftad, Engelska, 2000
538 kr
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These lecture notes by very authoritative scientists survey recent advances of mathematics driven by industrial application showing not only how mathematics is applied to industry but also how mathematics has drawn benefit from interaction with real-word problems.The famous David Report underlines that innovative high technology depends crucially for its development on innovation in mathematics. The speakers include three recent presidents of ECMI, one of ECCOMAS (in Europe) and the president of SIAM.
Del 18 - Springer Series in Chemical Physics
Modelling of Chemical Reaction Systems
Proceedings of an International Workshop, Heidelberg, Fed. Rep. of Germany, September 1–5, 1980
Häftad, Engelska, 2011
1 069 kr
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For rather a long time numerical results in chemical kinetics could only be obtained for very simple chemical reactions, most of which were of minor practi ca 1 importance. The avail abil ity of fast computers has provi ded new opportunities for developments in chemical kinetics. Chemical systems of practical interest are usually very complicated. They consi st of a great number of different el ementary chemi cal reacti ons, mostly with rate constants differi ng by many orders of magni tude, frequently with surface reacti on steps and often wi th transport processes. The deri vati on of a 'true' chemical mechani sm can be extremely cumbersome. Mostly this work is done by setting up 'reaction models' which are im- proved step by step in comparison with precise experimental data. At this early stage mathematics is involved, which may al ready be rather complicated. Mathematical methods such as pertubation theory, graph theory, sensitivity analysis or numerical integration are necessary for the derivation and application of optimal chemical reaction models.Most theoretical work aimed at improving the mathematical methods was done on chemical reactions which mostly were of little practical im- portance. Chemi cal engi neers, who evi dently k now well how important the chemical model s and their dynamics are for reactor desi gn, have al so to be convinced not only on the theoretical work but also on its practical applic- abil ity.