Items where Year is 1999

B

Backhaus, P. and Schmidt, B. and Dantus, M. (1999) Control of Photoassociation Yield: A Quantum Dynamical Study of the Mercury System to Explore the Role of Pulse Duration from Nanoseconds to Femtoseconds. Chem. Phys. Lett., 306 (1-2). pp. 18-24.

Bornemann, F. A. and Schütte, Ch. (1999) Adaptive Accuracy Control for Car-Parrinello Simulations. Num. Math., 83 (2). pp. 179-186.

Bornemann, F. A. and Schütte, Ch. (1999) On the Singular Limit of the Quantum-Classical Molecular Dynamics Model. J. Appl. Math., 59 (4). pp. 1208-1224.

Botta, N. and Klein, R. and Almgren, A. (1999) Dry Atmosphere Asymptotics. Technical Report. PIK Report, Summary Report No. 55.

D

Deuflhard, P. and Dellnitz, M. and Junge, O. and Schütte, Ch. (1999) Computation of Essential Molecular Dynamics by Subdivision Techniques. In: Computational Molecular Dynamics: Challenges, Methods, Ideas.

F

Fischer, A. and Cordes, F. and Schütte, Ch. (1999) Hybrid Monte Carlo with adaptive temperature choice: Efficient conformational analysis of RNA. Comp. Phys. Comm., 121 . pp. 37-39.

G

Gröpl, C. (1999) Binary Decision Diagrams for Random Boolean Functions. PhD thesis, Humboldt-Universität zu Berlin.

H

Huisinga, W. and Best, Ch. and Roitzsch, R. and Schütte, Ch. and Cordes, F. (1999) From Simulation Data to Conformational Ensembles: Structure and Dynamics based Methods. J. Comp. Chem., 20 (16). pp. 1760-1774.

Huisinga, W. and Pesce, L. and Kosloff, R. and Saalfrank, P. (1999) Faber and Newton Polynomial Integrators for Open-System Density Matrix Propagation. J. Chem. Phys., 110 (12). pp. 5538-5547.

K

Klein, R. (1999) Numerics in Combustion. In: Introduction to Turbulent Combustion. Lecture Series . von Karman Institute for Fluid Dynamics, Brussels, Belgium.

Klein, R. and Breitung, W. and Coe, I. and Grönig, H. and He, L. and Olivier, H. and Rehm, W. and Studer, E. and Vendel, J. (1999) Models and Criteria for Prediction of Deflagration-to-Detonation Transition(DDT) in Hydrogen-Air-Steam Systems under Severe Accident Conditions. In: Fission Safety (FISA 99), European Commission, 1999.

Kornhuber, R. (1999) Monotone iterations for elliptic variational inequalities. In: Free boundary problems: theory and applications. Research notes in mathematics (409). Chapman & Hall/CRC, Boca Raton, London, New York, Washington, D.C., pp. 335-343. ISBN 1-58488-018-X

L

Lenhof, H.-P. and Morgenstern, B. and Reinert, K. (1999) An exact solution for the segment-to-segment multiple sequence alignment problem. BIOINFORMATICS, 15 (3). pp. 203-210.

M

Münch, M. and Schmidt, H. and Klein, R. (1999) Tracking Flame Fronts with Dynamic Internal Structure. Modelling of reaction fronts at the interface of mathematics physics and chemistry. Technical Report. Universite Claude Bernard, Lyon, France.

N

Nettesheim, P. and Reich, S. (1999) Symplectic Multiple-Time-Stepping Integrators for Quantum-Classical Molecular Dynamics. In: Computational Molecular Dynamics: Challenges, Methods, Ideas.

Nettesheim, P. and Schütte, Ch. (1999) Numerical Integrators for Quantum-Classical Molecular Dynamics. In: Computational Molecular Dynamics: Challenges, Methods, Ideas.

R

Reinecke , M. and Hillebrandt , W. and Niemeyer , J.C. and Klein, R. and Gröbl, A. (1999) A new model for deflagration fronts in reactive fluids. Astronomy and Astrophysics, 347 (1999A&A...347..724R). 724-733 . ISSN 0004-6361 (Print) 1432-0746 (Online)

S

Schmidt, B. (1999) Quantum Dynamics of HF Photodissociation in Icosahedral Ar12HF Clusters: Rotational Control of the Hydrogen Atom Cage Exit. Chem. Phys. Lett., 301 (3-4). pp. 207-216.

Schneider, T. and Klein, R. (1999) Overcoming Mass Losses in Level-Set-Based Interface Tracking Schemes. In: 2nd International Conference on Finite Volume for Complexe Application, 1999.

Schneider, T. and Botta, N. and Geratz, K. J. and Klein, R. (1999) Extension of finite volume compressible flow solvers to multidimensional, variable density zero Mach number flows. J. Comput. Phys., 155 . pp. 248-286.

Schütte, Ch. (1999) Conformational Dynamics: Modelling, Theory, Algorithm, and Application to Biomolecules. preprint .

Schütte, Ch. (1999) Partial Wigner transforms and the quantum-classical Liouville equation. Other thesis, UNSPECIFIED.

Schütte, Ch. and Bornemann, F. A. (1999) Approximation Properties and Limits of the Quantum-Classical Molecular Dynamics Model. In: Computational Molecular Dynamics: Challenges, Methods, Ideas.

Schütte, Ch. and Fischer, A. and Huisinga, W. and Deuflhard, P. (1999) A Direct Approach to Conformational Dynamics based on Hybrid Monte Carlo. J. Comp. Phys, 151 (1). pp. 146-168.

Schütte, Ch. and Nettesheim, P. (1999) Nonadiabatic Effects in Quantum-Classical Molecular Dynamics. In: Scientific Computing in Chemical Engineering II.

W

Worlikar, A.S. and Aniruddha, S. and Knio, O.M. and Klein, R. (1999) Numerical Study of the Effective Impedance of a Thermoacoustic Stack. Acta Acustica united with Acustica, 85 (4,). pp. 480-494. ISSN 1610-1928

Z

Zdanska, P. and Schmidt, B. and Jungwirth, P. (1999) Photolysis of Hydrogen Chloride Embedded in the First Argon Solvation Shell: Rotational Control and Quantum Dynamics of Photofragments. J. Chem. Phys., 110 (13). pp. 6246-6256.