Full publication list can be found Here
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High-performance
solvers on many-core hardware Together with Przemyslaw
Klosiewicz, Bram Reps, Pieter Ghysels we are involved in the
Flanders Exascience Lab, a
collaboration between groups at five Flemish universities, IMEC
and INTEL. To develop a numerical toolkit for the next
generation of High performance computing hardware.
- Hiding global communication latency in the GMRES algorithm on massively parallel machines,
P. Ghysels, T. Ashby, K. Meerbergen, W. Vanroose, submitted to SISC [PDF]
- Improving the arithmetic intensity of multigrid with
the help of polynomial smoothers, P. Ghysels,
P. Klosiewicz, W. Vanroose, Numerical Linear Algebra and
Applications, 2012, vol. 19 p. 253
[PDF]
- Using Fast and Accurate Simulation to Explore
Hardware/Software Trade-offs in the Multi-Core Era,.
Heirman W, Carlson TE, Sarkar S, Ghysels P, Vanroose W,
Eeckhout L, Parallel Computing 2011.
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Hormone transport in
plant organs We are involved together with Delphine
Draelants and others in the system biology project.
- Pattern formation in a cell based auxin transport model with numerical bifurcation analysis
Delphine Draelants, Jan Broeckhove, Gerrit T. S. Beemster, Wim Vanroose [PDF]
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Numerical Continuation of
Resonances. Together with
Przemyslaw
Klosiewicz and
Jan Broeckhove
we have have introduced numerical continuation to track
resonances in quantum mechanical systems. Numerical
Continuation is frequently used in dynamical systems. The
method can track transition between resonant and bound state
in single channel problems, coupled channel problems with
equal and unequal tresholds.
- Numerical Continuation of Bound and Resonant States
of the Two Channel Schröinger Equation, Przemyslaw
Klosiewicz, Wim Vanroose, Jan Broeckhove,
Phys. Rev. A. (2012)
[abstract][PDF]
- Numerical Continuation of resonances and bound states
in coupled channel Schröinger equations, Przemyslaw
Klosiewicz, Jan Broeckhove, Wim Vanroose, Comm. Comput. Phys. 11 p 435
(2012) [abstract][PDF]
- Applying numerical continuation to the parameter
dependence of solutions of the Schröinger equation, Jan
Broeckhove, Przemyslaw Klosiewicz, Wim Vanroose, Journal of
Comp. Appl. Math. 2010
[abstract][PDF]
- Tracing the parameter dependence of quantum resonances with
numerical continuation, W Vanroose, P. Klosiewicz and J. Broeckhove 2009 J. Phys. B:
At. Mol. Opt. Phys. 42 044002 [abstract][pdf]
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Efficient solver and numerical
continuation of Ginzburg Landau equation. Together with
Nico Schlöer we
are developing efficient method to study the solutions of the
Ginzburg-Landau equation. This equation models a superconducting
material in a magnetic field. With
Daniele Avitabile
we have carried out a systematic bifurcation analysis of
superconducting patterns on a square system as a function of the
strength of the applied magnetic field.
- Numerical bifurcation study of superconducting patterns on a square,
Nico Schlöer, Daniele Avitabile, Wim Vanroose, SIAM J. Appl. Dyn. Syst. 11, pp. 447-477 (31 pages) [abstract][PDF]
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Iterative Methods for
Helmholtz and Schrodinger equation. Together with
Siegfried
Cools, Bram
Reps and
Hisham bin
Zubair we are analysing the application of multigrid to the
Helmholtz problem.
- Local Fourier Analysis of the Complex Shifted Laplacian
preconditioner for Helmholtz problems, Siegfried Cools and Wim
Vanroose, [abstract][PDF].
- A polynomial multigrid smoother for the iterative solution of
the heterogeneous Helmholtz problem, Wim Vanroose, Bram Reps,
Hisham bin Zubair, submitted to SIAM journal of numerical analysis
[abstract][PDF]
- A preconditioned iterative solver for the scattering
solutions of the schrodinger equation, Hisham bin Zubair, Bram
Reps and Wim Vanroose, Commun. Comput. Phys., 11 (2012)
[abstract][PDF]
- On the indefinited Helmholtz equation: complex stretched absorbing boundary layers, iterative analysis and preconditioning,
Bram Reps, Hisham bin Zubair, Wim Varoose, J. Comp. Phys, 2010, [abstract][PDF]
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Multiscale Methods for Kinetic Models. Together with
Ynte Vanderhoydonc and Annemie Bogaerts, we are developing
newe numerical lifting operators for problems described by the
Boltzmann equation. Earlier we have, together with
Pieter
Van Leemput,
Dirk
Roose,
Christophe
Vandekerckhove and
Giovanni
Samaey, developed various numerical multiscale
methods.
- Numerical extraction of macroscopic pde and lifting operator from a lattice boltzmann model Ynte Vanderhoydonc and Wim Vanroose, submitted to SIAM MMS [abstract][PDF]
- Lifting in hybrid lattice Boltzmann and PDE models, Ynte
Vanderhoydonc and Wim Vanroose, Computing and visualization in
science, 2011,
[abstract]
- A multilevel algorithm to compute steady states of lattice
Boltzmann models, Giovanni Samaey, Christophe Vandekerckhove, Wim
Vanroose, Wim
[abstract][PDF]
- An Analysis of Equivalent Operator Preconditioning for
Equation-Free Newton-Krylov Methods, Giovanni Samaey and Wim
Vanroose, [abstract][PDF]
- Newton-Krylov solvers for the equation-free computation of
coarse traveling waves, Giovanni Samaey, Wim Vanroose, Dirk Roose
and Ioannis Kevrekidis
[abstract][PDF]
- Accuracy of Hybrid Lattice Boltzmann/Finite Difference Schemes for Reaction-Diffusion Systems,
Pieter Van Leemput, Christophe Vandekerckhove, Wim Vanroose, and Dirk Roose
[abstract][PDF]
- Mesoscale Analysis of the Equation-Free Constrained Runs Initialization Scheme,Pieter Van Leemput, Wim Vanroose, and Dirk Roose,
[abstract][PDF]
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Together with Fernando
Martin (UAM
Madrid), Tom
Rescigno (Berkeley)
and Bill
McCurdy (Berkeley, UCDavis) and Dan Horner we did some very large
scale scattering calculations on double photoionization of
molecules. In this process a single photon kicks two
electrons out of a molecule. The pattern of ejection is
closely related to the electron-electron correlation in the
initial state. We have confirmed that the pattern changes
significantly with changing internuclear distance, as
previously seen in experiments.
- Role of Nuclear Motion in Double Ionization of Molecular Hydrogen by a Single Photon,
D. A. Horner, W. Vanroose, T. N. Rescigno, F. Martin, and C. W. McCurdy,
[abstract][PDF]
- Complete Photo-Induced Breakup of the H2 Molecule as a Probe of Molecular Electron Correlation ,
Wim Vanroose, Fernando Martin, Thomas N. Rescigno and C. William McCurdy,
abstract[PDF]
- Double photoionization of aligned molecular hydrogen,
W. Vanroose, D. A. Horner, F. Martin, T. N. Rescigno, and C. W. McCurdy,
[abstract][PDF]
- Nonperturbative theory of double photoionization of the hydrogen molecule,
W. Vanroose, F. Martin, T. N. Rescigno, and C. W. McCurdy
[abstract][PDF]
Check out Berkeley
Lab Research News ,
in Chemical
& Engineering
News, Seed
Magazine.
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Together with Zhang, McCurdy and Rescigno a model for the interaction of slow electrons with carbon dioxide (CO2). This model reproduces recent experiments and involves strong interaction between nuclear motion and electronic coordinates. In the meantime, this model has been used by others as a starting point for a theory of electron interaction with clusters of CO2.
- Threshold Vibrational Excitation of CO2 by Slow Electrons
Wim Vanroose, Zhiyong Zhang, C. W. McCurdy, and T. N. Rescigno,
[abstract][PDF]
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The modified J-matrix method. This is a numerical method for scattering calculations that is mainly for quantum mechanical problems. This method uses the oscillator states as underlying basis. It turns out that, asymptotically, this basis is a mixture between coordinate space and Fourier space.
- Modified J-Matrix Method for Scattering,
Wim Vanroose, Frans Arickx, Jan Broeckhove,
[abstract][PDF]
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The modified J-matrix method for short range potentials ,
J Broeckhove, F Arickx, W Vanroose and V S Vasilevsky,
[abstract]
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