Publications

Books, Proceedings Volumes

• Computational Molecular Dynamics: Challenges, Methods, Ideas -- Proceedings of the 2nd International Symposium on Algorithms for Macromolecular Modelling, Berlin, May 21-24, 1997. P. Deuflhard, J. Hermans, B. Leimkuhler, A.E. Mark, S. Reich, R.D. Skeel (eds.), Lecture Notes in Computational Science and Engineering Vol. 4, Springer-Verlag, 1998.

• B. Leimkuhler and S. Reich, Simulating Hamiltonian Dynamics. ISBN-0521772907

Thesis

• S. Reich, Beitrag zur Theorie der Algebrodifferentialgleichungen. Ph.D. thesis, TU Dresden, 1990.

• S. Reich, Dynamical systems, numerical integration, and exponentially small estimates. Habilitationsschrift, Freie Universitat Berlin, 1998. (ps.gz-file available here)

Papers

2011

• S. Reich and S. Shin, On the consistency of ensemble transform filter formulations. submitted, (pdf-file available here)

• V. Aizinger, P. Korn, M. Giorgetta and S. Reich, Large-scale turbulence modelling via alpha-regularization for the atmospheric ICON model. submitted, (pdf-file available here)

• R.D. Skeel and S. Reich, Corrected potential energy functions for constrained molecular dynamics. European Physical Journal Special Topics, 200 , 55-72, 2011, (pdf-file available here)

• S. Shin, S. Reich, and J. Frank, Hydrostatic Hamiltonian particle-mesh (HPM) methods for atmospheric modeling. Quarterly Journal of the Royal Meteorological Society, published online (pdf-file available here)

• S. Reich and T. Hundertmark, On the use of constraints in molecular and geophysical fluid dynamics. European Physical Journal Special Topics, 200 , 259-270, 2011 (pdf-file available here)

• K. Bergemann and S. Reich, An ensemble Kalman-Bucy filter for continuous data assimilation. Meteorolog. Zeitschrift, to appear, (pdf-file available here)

• J. Amezcua, E. Kalnay, K. Ide, S. Reich, Ensemble transform Kalman-Bucy filter. submitted, (pdf-file available here)

• S. Reich, A Gaussian mixture ensemble transform filters. Q.J.R. Meteorolog. Soc., published online, (pdf-file available here)

• E. Akhmatskaya and S. Reich, New Hybrid Monte Carlo Methods for Efficient Sampling: from Physics to Biology and Statistics. to appear in Progress in Nuclear Science and Technology (pdf-file available here)

• E. Akhmatskaya and S. Reich, Meso-GSHMC: A stochastic algorithm for meso-scale constant temperature simulations. Procedia Computer Science, 4 , 1353-1362, 2011, (pdf-file available here)

• G. Gottwald, L. Mitchell and S. Reich, Controlling overestimation of error covariance in ensemble Kalman filters with sparse observations: A variance limiting Kalman filter. Monthly Weather Review, 139 , 2650-2667, 2011, (pdf-file available here)

• S. Shin, G. Zoeller, M. Holschneider and S. Reich, A multigrid solver for modeling complex interseismic stress fields. Computers & Geosciences, 37 , 1075-1082, 2011, (pdf-file available here)

• S. Reich, A dynamical systems framework for intermittent data assimilation. BIT Numerical Analysis, 51 , 235-249, 2011, (pdf-file available here)

2010

• S. Reich, Ensemble Kalman and H_infty filters. AIP Conf. Proc., Volume 1281, 2010, pp. 19-22 (ICNAAM 2010: International Conference of Numerical Analysis and Applied Mathematics), (pdf-file available here)

• K. Bergemann and S. Reich, A mollified ensemble Kalman filter. Q.J.R. Meteorolog. Soc. 136 , 1636-1643, 2010, (pdf-file available here)

• K. Bergemann and S. Reich, A localization technique for ensemble Kalman filters. Q.J.R. Meterolog. Soc. 136 , 701-707, 2010. (pdf-file of a slightly expanded version available here)

• S. Shin, M. Sommer, S. Reich and P. Nevir, Evaluation of three spatial discretization schemes with the Galewsky et al. test. Atmospheric Science Letters 11, 223-228, 2010 (pdf-file available here)

• M. Sommer and S. Reich, Phase space volume conservation under space and time discretization schemes for the shallow-water equations. Monthly Weather Review, 138, 4229-4236, 2010, (pdf-file available here)

• M. Laeuter et al, A 2D Unified (Non-) Hydrostatic Model of the Atmosphere with a discontinuous Galerkin Method. technical report, (pdf-file available here)

2009

• E. Akhmatskaya, N. Bour-Rabee and S. Reich, A comparison of generalized hybrid Monte Carlo methods with and without momentum flip. J. Comput. Phys. 228, 2256--2265, 2009 (pdf-file available here), an erratum is available here and has been published in J. Comput. Phys. 228, 7492--7496, 2009.

• S. Shin and S. Reich, Hamiltonian particle-mesh simulations for a non-hydrostatic vertical slice model. Atmospheric Science Letters 10 , 233-240, 2009 (pdf-file available here)

• B. Leimkuhler and S. Reich, A Metropolis adjusted Nose-Hoover thermostat. M2AN, 43, 74300756, 2009. (pdf-file available here)

• K. Bergemann, G. Gottwald, and S. Reich, Ensemble propagation and continuous matrix factorization algorithms. Q.J.R. Meteorolog. Soc., 135, 1560--1572, 2009. (pdf-file available here)

• Marco Giorgetta, Tobias Hundertmark, Peter Korn, Sebastian Reich, Marco Restelli, Conservative space and time regularizations for the ICON model. Berichte zur Erdsystemforschung, Report 67, MPI for Meteorology, Hamburg. (pdf-file available here)

• E. Akhmatskaya and S. Reich, Stochastic algorithms for meso-scale constant temperature simulations. technical report. (pdf-file available here)

• C.J. Cotter, D.A. Ham, Ch.C. Pain and S. Reich, LBB stability of a mixed Galerkin finite element pair for fluid flow simulations.J. Comput. Phys. 228, 336-348, 2009. (pdf-file available here)

2008

• E. Akhmatskaya and S. Reich, GSHMC: An efficient method for molecular simulation. J. Comp. Phys. 227, 4934-4954, 2008. (pdf-file available here)

2007

• C.J. Cotter, J. Frank, and S. Reich, The remapped particle-mesh semi-Lagrangian advection scheme. Q.J.R. Meteorolog. Soc. 133, 251-260, 2007. (pdf-file available here)

• S. Reich, N. Wood, and A. Staniforth, Semi-implicit methods, nonlinear balance, and regularized equations. Atmospheric Science Letters 8, 1-6, 2007. (pdf-file available here)

• T. Hundertmark and S. Reich, A regularization approach for a vertical slice model and semi-Lagrangian Stormer-Verlet time-stepping. Q.J.R. Meteorolog. Soc. 133, 1575-1587, 2007. (pdf-file available here)

• S. Reich, An explicit and conservative remapping strategy for semi-Lagrangian advection. Atmospheric Science Letters 8, 58-63, 2007. (pdf-file available here)

2006

• J. Frank, B. Moore, and S. Reich, Linear PDEs and numerical methods that preserve a multi-symplectic conservation law. SIAM J Scientific Computing 28, 260-277, 2006. (pdf-file available here)

• E. Akhmatskaya and S. Reich, The targetted shadowing hybrid Monte Carlo (TSHMC) method. New Algorithms for Macromolecular Simulation, Lecture Notes in Computational Science and Engineering 49, editors: B. Leimkuhler C. Chipot, R. Elber, A. Laaksonen, A. Mark, T. Schlick, C. Schuette, R. Skeel, 145-158, 2006. (pdf-file available here)

• N. Wood, A. Staniforth, and S. Reich, Improved regularization for time-staggered discretization and its link to the semi-implicit method. Atmospheric Science Letters 7, 21-25, 2006. (pdf-file available here)

• C.J. Cotter and S. Reich, Semi-geostrophic particle motion and exponentially accurate normal forms. SIAM Multiscale Modelling 5, 476-496, 2006. (pdf-file available here)

• S. Reich, Linearly implicit time stepping methods for numerical weather prediction. BIT 46, 607-616, 2006. (pdf-file available here)

• T.J. Bridges and S. Reich, Numerical methods for Hamiltonian PDEs. J. Phys. A: Math. Gen. 39, 5287-5320, 2006. (pdf-file available here)

• A. Staniforth, N. Wood, and S. Reich, A time-staggered semi-Lagrangian discretization of the rotating shallow-water equations. Q.J.R. Meteorolog. Soc. 132, 3107-3116, 2006. (pdf-file available here)

• M. Dubal, A. Staniforth, N. Wood, and S. Reich, Analysis of a regularized, time-staggered discretization applied to a vertical slice model. Atmospheric Science Letters 7, 86-92, 2006. (pdf-file available here)

2005

• J. Frank, S. Reich, A. Staniforth, A. White, and N. Wood, Analysis of a regularized, time-staggered discretization method and its link to the semi-implicit method. Atmospheric Science Letters 6, 97-104, 2005. (pdf-file available here)

• T. Bridges, P. Hydon and S. Reich, Vorticity and symplecticity in Lagrangian fluid dynamics. J. Phys. A: Math. Gen. 38, 1403-1418, 2005. (pdf-file available here)

2004

• C.J. Cotter and S. Reich, Adiabatic invariance and applications: From MD to NWP. BIT, 44, 439-455, 2004. (pdf-file available here)

• J. Frank and S. Reich, The Hamiltonian Particle Mesh method for the spherical shallow-water equations. Atmospheric Science Letters 5, 89-95, 2004. (pdf-file available here)

• C.J. Cotter and S. Reich, Time Stepping Algorithms for Classical Molecular Dynamics. Computational Nanotechnology (eds. M. Rieth and W. Schommers), to appear. (pdf-file available here -- version 27/03/2004)

• M. Dixon and S. Reich, Symplectic Time-Stepping for Particle Methods. GAMM Mitteilungen 27, 9-24, 2004. (pdf-file available here)

• J. Frank and S. Reich, Energy-conserving semi-discretizations and spurious numerical reflections. technical report (pdf-file available here)

• C.J. Cotter, J. Frank and S. Reich, Hamiltonian Particle-Mesh Method for Two-Layer Shallow-Water Equations Subject to the Rigid-Lid Approximation. SIAM J Applied Dynamical Systems 3, 69-83, 2004. (pdf-file available here)

• C.J. Cotter and S. Reich, Geometric Integration of a Wave-Vortex Model. APNUM 48, 293-305, 2004. (ps.gz-file available here)

2003

• C.J. Cotter and S. Reich, An Extended Dissipative Particle Dynamics Model. Europhys. Lett. 64, 723-729, 2003. (pdf-file available here)

• B. Moore and S. Reich, Multi-symplectic Integration Methods for Hamiltonian PDEs. Future Generation Computer Systems 19, 395-402, 2003. (ps.gz-file available here)

• B. Moore and S. Reich, Backward error analysis for multi-symplectic integration methods. Numerische Mathematik 95, 625-652, 2003. (pdf-file available here)

• J. Frank and S. Reich, Conservation Properties of Smoothed Particle Hydrodynamics Applied to the Shallow Water Equations. BIT 43, 40-54, 2003. (ps.gz-file available here)

2002

• J. Frank, G. Gottwald, and S. Reich, A Hamiltonian Particle-Mesh Method for the Rotating Shallow-Water Equations. Lecture Notes in Computational Science and Engineering, Vol. 26, 131-142, 2002. (ps.gz-file available here)

• E. Barth, B. Leimkuhler and S. Reich, A test set for molecular dynamics. Lecture Notes in Computational Science and Engineering, Vol. 24, 73-103, 2002. (ps.gz-file available here)

• J. Frank and S. Reich, A Particle-Mesh Method for the Shallow Water Equations near Geostrophic Balance. J. Comput. Phys. 180, 407-426, 2002. (ps.gz-file available here)

2001

• Th.J. Bridges and S. Reich, Multi-symplectic spectral discretizations for the Zakharov-Kuznetsov and shallow water equations. Physica D 152 , 491-504, 2001. (ps.gz-file available here)

• Th.J. Bridges and S. Reich, Computing Lyapunov exponents on a Stiefel manifold. Physica D, 156, 219-238, 2001. (ps.gz-file available here)

• B. Leimkuhler and S. Reich, A reversible averaging integrator for multiple time-scale dynamics. J. Comput. Physics 171 , 95-114, 2001. (ps.gz-file available here)

• Th.J. Bridges and S. Reich, Multi-symplectic integrators: numerical schemes for Hamiltonian PDEs that conserve symplecticity. Physics Letters A 284 , 184-193, 2001. (ps.gz-file available here)

• Th. Holder, B. Leimkuhler, and S. Reich, Explicit variable step-size and time-reversible integration. APNUM 39, 367-377, 2001. (ps.gz-file available here)

2000

• J. Zhou, S. Reich and B.R Brooks, Elastic molecular dynamics with self-consistent flexible constraints. J. Chem. Phys. 112 , 7919--7929, 2000. (ps.gz-file available here)

• S. Reich, Finite volume methods for multi-symplectic PDEs. BIT 40 , 559--582, 2000. (ps.gz-file available here)

• S. Reich, The repulsive-particle method and the symplectic integration of the shallow-water equations. technical report. (ps.gz-file available here)

• S. Reich, Multi-symplectic Runge-Kutta collocation methods for Hamiltonian wave equations. J. Comput. Phys. 157 , 473--499, 2000. (ps.gz-file available here)

• S. Reich, Smoothed Langevin dynamics of highly oscillatory systems. Physica D 138, 210-224, 2000. (ps.gz-file available here)

1999

• J. Izaguirre, S. Reich, and R.D. Skeel, Longer time steps for molecular dynamics. J. Chem. Phys. 110 , 9853-9864, 1999. (ps.gz-file available here)

• S. Reich, Backward error analysis for numerical integrators. SIAM J. Numer. Anal. 36 , 1549-1570, 1999. (ps.gz-file available here)

• S. Reich, Multiple time-scales in classical and quantum-classical molecular dynamics. J. Comput. Phys. 151 , 49-73, 1999. (ps.gz-file available here)

• E. Barth, B. Leimkuhler, S. Reich, A time-reversible variable stepsize integrator for constrained dynamics. SIAM J. Sci. Comput. 21, 1027-1044, 1999. (ps.gz-file available here)

• U. Ascher, S. Reich, The midpoint scheme and variants for Hamiltonian systems: advantages and pitfalls. SIAM J. Sci. Comput. 21, 1045-1065, 1999. (ps.gz-file available here)

• S. Reich, Preservation of adiabatic invariants under symplectic discretization. Applied Numerical Mathematics 29, 45-56, 1999. (ps.gz-file available here)

1998

• U. Ascher, S. Reich, On some difficulties in integrating highly oscillatory Hamiltonian systems. Lecture Notes in Computational Science and Engineering, Vol. 4, 281-296, 1998. (ps.gz-file available here)

• S. Reich, Modified potential energy functions for constrained molecular dynamics. Numerical Algorithms 19, 213-221, 1998. (ps.gz-file available here)

• P. Nettesheim and S. Reich, Symplectic multiple-time-stepping integrators for quantum-classical molecular dynamics. Lecture Notes in Computational Science and Engineering, Vol. 4, 412-420, 1998. (ps.gz-file available here)

prehistoric stuff

• S. Reich, Algebrodifferentialgleichungen und Vektorfelder auf Mannigfaltigkeiten. Wissenschaftliche Zeitschrift der TU Dresden 38, 217-220, 1989.

• S. Reich, On a geometric interpretation of DAEs. Circ. Syst., Sig. Processing 9, 367-382, 1990.

• S. Reich, On a geometric characterization of DAEs. Mathematical Research Vol. 59, Akademie-Verlag, 105-113, 1990.

• S. Reich, New results on the numerical and analytical treatment of DAEs. in: Tagungsbericht des ITG-Seminars: Neue Anwendungen theoretischer Konzepten in der Elektrotechnik, Hannover, 79-90, 1990.

• E. Eich, C. Fuhrer, B. Leimkuhler, S. Reich, Stabilization and projection methods for multibody dynamics Report A281, Helsinki Univ. of Technology, 1990.

• S. Reich, On an existence and uniqueness theory for nonlinear DAEs. Circ. Syst., Sig. Processing 10, 344-359, 1991.

• S. Reich, DAEs and applications in circuit theory. Archiv für Elektronik and Übertragungstechnik (AEÜ)46, 298-304, 1992.

• U. Ascher, H. Chin, S. Reich, Stabilization of DAEs and invariant manifolds. Numerische Mathematik 67, 131-149, 1994. (ps.gz-file available here)

• B. Leimkuhler, S. Reich, Symplectic integration of constrained Hamiltonian systems. Math. Comp. 63, 598-605, 1994. (ps.gz-file available here)

• S. Reich, Momentum conserving symplectic integrators. Physica D 76, 375-383, 1994.

• S. Reich, On the local qualitative behavior of DAEs. Circ. Syst., Sig. Processing 14, 427-443, 1994.

• U. Ascher, H. Chin, L. Petzold, S. Reich, Stabilization of constrained mechanical systems with DAEs and invariant manifolds. Mech. Struct. & Mach. 23, 135-157, 1995. (ps.gz-file available here)

• S. Reich, Smoothed dynamics of highly oscillatory Hamiltonian systems. Physica D 89, 28-42, 1995. (ps.gz-file available here)

• S. Reich, Enhanced energy conserving methods. BIT 36, 122-134, 1996. (ps.gz-file available here)

• S. Reich, Symplectic integration of conservative multibody systems. Fields Institute Communications 10, 181-191, 1996. (ps.gz-file available here)

• B. Leimkuhler, S. Reich, R.D. Skeel, Integration methods for molecular dynamics. IMA Volumes in Mathematics and its Applications Vol. 82, Springer Verlag, 161-186, 1996. (ps.gz-file available here)

• S. Reich, Torsion dynamics of molecular systems. Phys. Rev. E 53, 4176-4181, 1996. (ps.gz-file available here and Fig. 1 , Fig. 2, Fig. 3)

• S. Reich, Symplectic integration of constrained Hamiltonian systems by composition methods. SIAM J. Numer. Anal. 33, 475-491, 1996. (ps.gz-file available here)

• S. Reich, On higher-order semi-explicit symplectic partitioned Runge-Kutta methods for constrained Hamiltonian systems. Numerische Mathematik 76, 231-247, 1997. (ps.gz-file available here)

• S. Reich, Transmission line equations as Hamiltonian partial differential equations: theory and implications for circuit simulations. Kleinheubacher Berichte 40, 304-312, 1996. (ps.gz-file available here and Fig. 1)