Maul, R., Brendelberger, S., Obermair, Ch., Starikov, E. B., Wenzel, W., ...
The controlled fabrication of well-ordered atomic-scale metallic contacts is of great interest: it is expected that the experimentally observed high percentage of point contacts with a conductance at...
Charge-induced maximal spin states of a polynuclear transition-metal complex (2005)
Romeike, C., Wegewijs, M. R., Ruben, M., Wenzel, W., Schoeller, H.
We theoretically investigate the ground state spin of a polynuclear transition-metal complex as a function of the number of added electrons taking into account strong electron correlations. Our...
Voigt,A., Wenzel,W., Richter,J., Tomczak,P.
We investigate an antiferromagnetic s=1/2 quantum spin system with anisotropic spin exchange on a fractal lattice, the Sierpinski gasket. We introduce a novel approximative numerical method, the...
Voigt, A., Wenzel, W., Richter, J., Tomczak, P.
We investigate an antiferromagnetic s=1/2 quantum spin system with anisotropic spin exchange on a fractal lattice, the Sierpinski gasket. We introduce a novel approximative numerical method, the...
We report the reproducible first-principles folding of the 40 amino acid, three-helix headpiece of the HIV accessory protein in a recently developed all-atom free-energy forcefield. Six of twenty...
Conductance of a hydrogen molecule (2002)
Heurich, J., Pauly, F., Cuevas, J. C., Wenzel, W., Schoen, Gerd
Recently Smit et al. [Nature 419, 906 (2002)] have reported that a single hydrogen molecule can form a bridge between Pt electrodes, which has a conductance close to one quantum unit, carried by a...
A new two-pole accretion polar: RX J1846.9+5538 (2002)
Schwarz, R., Greiner, J., Tovmassian, G. H., Zharikov, S. V., Wenzel, W.
We report the discovery of a new, bright (V = 17 mag) AM Her system as the optical counterpart of the soft ROSAT All-Sky-Survey source RX J1846.9+5538 (= 1RXS J184659.4+553834). Optical photometric...
Current collapse in tunneling transport through benzene (2002)
Hettler, M. H., Wenzel, W., Wegewijs, M. R., Schoeller, H.
We investigate the electrical transport through a system of benzene coupled to metal electrodes by electron tunneling. Using electronic structure calculations, a semi--quantitative model for the...
Massively Parallel Individually Selecting Configuration Interaction: A Progress Report (2002)
Horst Rollnik, Dietrich Wolf (editor, P. Stampfu, W. Wenzel
this report (see ) so that only the most important points are summarized here. The B 2 photoelectron spectrum originates right at the onset of the nonadiabatic regime (the B 2 cusp occurs 0.08 eV...
A new two-pole accretion polar: RX J1846.9+5538 (2002)
Schwarz, R., Greiner, J., Tovmassian, G.H, Zharikov, S.V, Wenzel, W.
We report the discovery of a new, bright (V similar to 17(m)) AM Her system as the optical counterpart of the soft ROSAT All- Sky-Survey source RX J1846.9+5538 (=1RXS J184659.4+553834). Optical...
Disorder Induced Quantum Phase Transition in Random-Exchange Spin-1/2 Chains (2001)
Hamacher, K., Stolze, J., Wenzel, W.
We investigate the effect of quenched bond-disorder on the anisotropic spin-1/2 (XXZ) chain as a model for disorder induced quantum phase transitions. We find non-universal behavior of the average...
Heurich, J., Cuevas, J. C., Wenzel, W., Schoen, G.
We present an atomistic theory of electronic transport through single organic molecules that reproduces the important features of the current-voltage characteristics observed in recent experiments....
Massively Parallel Individually Selecting Configuration Interaction (2000)
P. Stampfu, K. Hamacher, W. Wenzel
We report on the implementation and initial applications of an integral-driven algorithm of the configuration-selecting multireference configuration interaction method for massively parallel...
We investigate a novel stochastic technique for the global optimization of complex potential energy surfaces (PES) that avoids the freezing problem of simulated annealing by allowing the dynamical...
The DIRC detector at Babar (1999)
Adam, I., Aleksan, R., Aston, D., Bailly, P., Beigbeder, C., Benayoun, M., ...
A dedicated particle identification system based on the Detection of Internally Reflected Cherenkov (DIRC) light will be used in the BaBar detector. We provide an overview of the DIRC concept,...
The DIRC detector at Babar (1999)
Adam, I., Aleksan, R., Aston, D., Bailly, P., Beigbeder, C., Benayoun, M., ...
A dedicated particle identification system based on the Detection of Internally Reflected Cherenkov (DIRC) light will be used in the BaBar detector. We provide an overview of the DIRC concept,...
M. Noronha, M. Wagner, W. Wenzel, J. Wirnitzer
this paper. All approaches use the same familiy of interpolation functions on the boundary Gamma. The displacement and traction fields on the boundary, u Gamma and t Gamma , are approximated by...
Efficient Field Point Evaluation by Combined Direct and Hybrid Boundary Element Methods (1998)
A new procedure for calculating field points with the boundary element method (BEM) is outlined. In the conventional BEM (CBEM) field points are computed as post--processing by recurrently solving...
Structure of the Hilbert-space of the infinite-dimensional Hubbard model (1998)
An iterative procedure for the explicit construction of the nontrivial subspace of all symmetry-adapted configurations with non-zero weight in the ground-state of the infinite-dimensional Hubbard...
The Scaling Behaviour of Stochastic Minimization Algorithms in a Perfect Funnel Landscape (1998)
We determined scaling laws for the numerical effort to find the optimal configurations of a simple model potential energy surface (PES) with a perfect funnel structure that reflects key...
The MONK's Problems A Performance Comparison of Different Learning Algorithms (1998)
S. B. Thrun, J. Bala, E. Bloedorn, I. Bratko, B. Cestnik, J. Cheng, ...
This report summarizes a comparison of different learning techniques which was performed at the 2nd European Summer School on Machine Learning, held in Belgium during summer 1991. A variety of...
Magnon-magnon interactions in the spin-Peierls compound CuGeO3 (1997)
Gros,C., Wenzel,W., Fledderjohann,A., Lemmens,P., Fischer,M., Güntherodt,G., ...
Magnon-magnon interactions in the spin-Peierls compound CuGeO3 (1997)
Gros, C., Wenzel, W., Fledderjohann, A., Lemmens, P., Fischer, M., Güntherodt, G., ...
Magnon-magnon interactions in the Spin-Peierls compound CuGeO_3 (1996)
Gros, C., Wenzel, W., Fledderjohann, A., Lemmens, P., Fischer, M., Güntherodt, G., ...
In a magnetic substance the gap in the Raman spectrum, Delta_R, is approximatively twice the value of the neutron scattering gap, Delta_S, if the the magnetic excitations (magnons) are only weakly...
Gros, C., Wenzel, W., Richter, J.
We present a spin-1/2 bilayer model for the quantum order-disorder transition which (i) can be solved by mean-field theory for bulk quantities, (ii) becomes critical at the transition, and (iii)...
Aston, D, Hearty, C, Kadyk, J A, Kawahara, H, Lu, A, Lynch, G, ...
Optical variability of the supersoft source RX~J0019.8+2156 (1994)
We present a 100 yr optical lightcurve of the recently discovered supersoft X-ray source RX~J0019.8+2156 as deduced from photographic plates of Harvard and Sonneberg Observatory. Apart from the...
Letter of intent for the study of CP violation and heavy flavor physics at PEP-II (1994)
BABAR Collaboration, Boutigny, D, Goy, C, Karyotakis, Y, Lees, JP, Lees-Rosier, S, ...
Simultaneous optical/gamma-ray observations of GRBs (1994)
Greiner, J., Wenzel, W., Hudec, R., Moskalenko, E. I., Metlov, V., Chernych, N. S., ...
Simultaneous optical/gamma-ray observations of GRBs (1993)
Greiner, J., Wenzel, W., Hudec, R., Pravec, P., Rezek, T., Nesvara, M., ...
Compensation studies of a lead TMP calorimeter (1992)
Aubert, B., Ciocio, A., Colas, J., Dobrzynski, L., Ghez, P., Kadyk, J., ...
A search for materials compatible with warm liquids (1992)
Aubert, B., Ciocio, A., Colas, J., Dobrzynski, L., Ghez, P., Guillouet, P., ...
Compensation studies of a lead TMP calorimeter (1992)
Aubert, B., Ciocio, A., Colas, J., Dobrzynski, L., Ghez, P., Kadyk, J., ...
A search for materials compatible with warm liquids (1992)
Aubert, B., Ciocio, A., Colas, J., Dobrzynski, L., Ghez, P., Guillouet, P., ...
The MONK's Problems A Performance Comparison of Different Learning Algorithms (1991)
S. B. Thrun, J. Bala, E. Bloedorn, I. Bratko, B. Cestnik, J. Cheng, ...
This report summarizes a comparison of different learning techniques which was performed at the 2nd European Summer School on Machine Learning, held in Belgium during summer 1991. A variety of...
Messen der Güte von Durchkontaktierungen für ein neues galvanisches Verfahren (1990)
Wenzel, W., Bolch, T., Gemmler, A., Roubal, J.
Bisher war es üblich, Chemisch-Kupfer beim Durchkontaktieren von Leiterplatten einzusetzen. Sollen neue Verfahren eine Alternative darstellen, muß ihre Leistungsfähigkeit nachgewiesen werden. Im...
Performance of a time-projection chamber (1979)
Fancher, D., Hilke, H.J., Loken, S., Martin, P., Marx, J.N., Nygren, D.R., ...
Performance of a time-projection chamber (1979)
Fancher, D., Hilke, H.J., Loken, S., Martin, P., Marx, J.N., Nygren, D.R., ...
An All-Atom Force Field for Tertiary Structure Prediction of Helical Proteins
We have developed an all-atom free-energy force field (PFF01) for protein tertiary structure prediction. PFF01 is based on physical interactions and was parameterized using experimental structures of...
An All-Atom Force Field for Tertiary Structure Prediction of Helical Proteins
We have developed an all-atom free-energy force field (PFF01) for protein tertiary structure prediction. PFF01 is based on physical interactions and was parameterized using experimental structures of...
An Evolutionary Strategy for All-Atom Folding of the 60-Amino-Acid Bacterial Ribosomal Protein L20
We have investigated an evolutionary algorithm for de novo all-atom folding of the bacterial ribosomal protein L20. We report results of two simulations that converge to near-native conformations of...