Research+Profiles

toc //**Members:** Please place your sketch in alphabetical order by last name// (Use the **//Heading 3//**, not **boldface**, setting for the line with your name on it.)

Karsten Balzer
Institut für Theoretische Physik und Astrophysik, Christian-Albrechts-Universität Kiel, Germany; affiliate of Prof. Dr. Michael Bonitz. Group page:[| http://www.theo-physik.uni-kiel.de:81/~bonitz/] My research interests involve the theory of (spatially) inhomogeneous quantum systems in and, especially, out of equilibrium. The static and dynamic properties are studied by using the concept of Nonequilibrium Green's functions (NEGF). To this end, I am developing parallelized computer codes for efficiently solving the Keldysh/Kadanoff-Baym equations. Particularly, at present, my work comprises two-space two-time NEGF calculations for small model atoms and molecules (such as He and LiH) with electron-electron correlations included on the level of the second Born approximation; see e.g. Phys. Rev A 81, 022510 (2010):[| http://pra.aps.org/abstract/PRA/v81/i2/e022510]

Prof. Michael Bonitz
I am a theoretical physicist, holding a chair "Statistical Physics" (C4 professor) at the Institute for Theortical Physics and Astrophysics at Christian-Albrechts-Universität Kiel, Germany. My main interests are in many-body physics of classical and quantum charged particle systems, including dense plasmas (laser plasmas, dusty plasmas), fermions and bosons in traps (electrons and excitons in quantum dots, ultracold atoms) and atomic systems in strong electromagnetic fields. The tools we use are first principle simulations, including molecular dynamics, path integral Monte Carlo, quantum kinetic theory and nonequilibrium Green's functions (NEGF). We have recently developed a NEGF approach to sub-femtosecond dynamics of electrons in plasmas and small atoms in intense x-ray fields. For more information see my web page [|http://www.theo-physik.uni-kiel.de:81/~bonitz]

Prof. Lorenz ("Lenz") Cederbaum
I'm a professor of theoretical chemistry, and interdiciplinary research is at the center of the work of our group. The group is involved in the development of theories, of the numerical methods needed to evaluate the theories, as well as in implementation of the theories and their applications to realistic systems. The individual areas of research include: Many-body theory; developing methods and applications Nuclear dynamics and wave packets in multi- dimensions Non-adiabatic phenomena; conical intersections, slow electrons Electron molecule scattering Atoms and molecules in strong magnetic fields Stable and short-lived singly and multiply charged anions Charge transfer in molecules and biologically relevant systems Quantum dots; electron correlation and effects of intense laser radiation Bose-Einstein condensation: fragmentation, static properties and dynamics Ultrafast electronic dynamics Intermolecular Coulombic decay (ICD) More infromation can be found in our home page: []

Prof. Veit Elser
Department of Physics, Cornell University. I'm a condensed matter theorist by training and work on a variety of problems that are computational in nature. The type of problem that comes closest to the theme of the workshop is reconstructing signals from incomplete information. I've also worked on various optimization problems, mostly with complex configuration spaces (e.g. packings, protein folding).

Prof. Chris Greene
JILA and Department of Physics, University of Colorado. My research interests relevant to this program concern the theory of high-harmonic generation in atoms and molecules, nonperturbative descriptions of electron correlation phenomena in atoms and molecules, and the interactions between XFEL radiation and clusters.

Dr. Harald O. Jeschke
Institut für Theoretische Physik, Goethe-Universität Frankfurt, Germany. I am a theoretical solid state physicist focussing on structural changes in a wide range of bulk and nanoscale materials. I study phase transitions in semiconductors in the presence of laser induced nonequilibrium using molecular dynamics simulations on a tight binding basis (for an example, see Phys. Rev. Lett. **87**, 015003 (2001)). I am also interested in the relationship between lattice structure and electronic properties in complex magnetic or strongly correlated materials (see e.g. Phys. Rev. Lett. **101**, 136406 (2008)). In this context, I also apply and develop methods based on dynamical mean field theory. For more information, please see [|http://itp.uni-frankfurt.de/~jeschke/]

Prof. Hikaru Kitamura
Department of Physics, Kyoto University, Japan. Research interests: (1) Quantum-statistical theory of condensed matter interacting with XFEL (2) Phase transitions (3) Physics of expanded fluid metals

Dr. Marcus Kollar
I am a theoretical physicist [|working] at the University of Augsburg, Germany. I am interested in the nonequilibrium properties of strongly correlated electrons, in particular using nonequilibrium dynamical mean-field theory ``[``[|PRB 81, 115131 ('10)], [|PRL 103, 056403 ('09)], [|PRL 100, 120404 ('08)]``]``, with the goal of understanding the ultrafast response of strongly correlated materials in time-resolved spectroscopy ``[``[|PRB 78, 245113 ('08)], [|PRB 78, 205119 ('08)]``]``.

Dr. Alexander Kuleff
Theoretical Chemistry, Institute of Physical Chemistry, University of Heidelberg, Im Neuenheimer Feld 229, 69120 Heidelberg, Germany. Main research interests: Ultrafast electron dynamics in molecular systems and interatomic/intermolecular electronic decay processes ([|ICD and related phenomena]). For more information, see []

Prof. Peter Lambropoulos
Physics Department, University of Crete and Institute of Electronic Structure and Lasers (IESL-FORTH), Heraklion, Crete, Greece. In connection with the theme of the X-ray Frontiers program, my work spans multiphoton physics, non-linear optics, coherent control etc., with recent emphasis on atoms under FEL radiation [PRL 104, 213 (2010), PRL 102, 033002 (2009), PRA 78, 055402 (08), PRA 77, 023415 (08), PRA 77, 023401 (08), NJP 10, 025012 (08)]. Other research interests include BEC and the Atom Laser [PRA 82, 003600 (2010), PRA 81, 031606(R) (2010), PRA 79 013631 (09), JPB 41, 025301 (08)] as well as Quantum Optics and Quantum Information [PRA 81, 042307 (2010)].

Prof. Peter Langhoff
Peter W. Langhoff is a theoretical physicist who holds various appointments at the University of California, San Diego, in the Departments of Chemistry & Biochemistry and Pharmacology, and at the San Diego Supercomputer Center. He is also active in the private-sector as Chief Scientific Officer performing for various agencies. His research interests include theoretical and computational quantum chemistry and physics, particularly the development of new methods for ab initio calculations of chemical structures and of the electronically excited bound and continuum states of molecules from a common formalism, with applications to time-resolved molecular photo-emission, interpretation of visible, vuv, and x-ray fluorescence from complex molecules, nondipole effects in the interactions between radiation and matter, proton shuttles and IR spectroscopy in proteins, and the photo excitation and dissociation dynamics of selected clusters.

Prof. Alfred Maquet
Laboratoire de Chimie Physique-Matière & Rayonnement (LCPMR), Université Pierre et Marie Curie & CNRS. 11 rue Pierre et Marie Curie, 75005 Paris, France. My research interests are primarily in Theoretical Atomic, Molecular and Optical Physics, with emphasis on strong-field phenomena. Among other things, I have some experience in "exact" calculations (either with integral representations or with L2 basis expansions of the Coulomb Green's function) of multiphoton perturbative amplitudes in hydrogen [J. Phys. B, **31**, 3743-64 (1998)]. Recent works related to topics relevant to the Workshop include theoretical studies of one and two-color (IR-XUV) Above-Threshold Ionization (ATI), as well as questions related to the imaging of molecular orbitals through the tomographic analysis of harmonic spectra generated by oriented molecules. The ATI studies were carried out in direct relation with recent experiments implemented on XFEL and harmonic generation sources.

Prof. Jianwei (John) Miao
Jianwei (John) Miao is a professor in the Department of Physics & Astronomy and the California NanoSystems Institute at UCLA. He and his co-workers conducted the first coherent diffractive (lensless) imaging experiment in 1999. Since then, he and his collaborators have proposed a few theoretical concepts and conducted a number of important experiments to help to establish this field. His research interests lie in the interplay of physics, nanoscience and biology. He is particularly interested in developing new physical methods for quantitative imaging of nanoscale materials and biological systems in three dimensions.

Dr. Georgios Nikolopoulos
Institute of Electronic Structure and Laser (IESL-FORTH), Heraklion, Crete, Greece. I am a researcher at IESL-FORTH, in Theoretical AMO Physics. My research interests relevant to this program concern quantum optics phenomena in the context of interactions between matter and FEL radiation. Other research interests include Bose-Einstein Condensates, Quantum Information Processing and Quantum Communication. For more information see [|http://gate.iesl.forth.gr/~nikolg]

Dr. Serguei Patchkovskii
Steacie Institute for Molecular Sciences, National Research Council of Canada, 100 Sussex Drive, Ottawa, Ontario, K1N 1J3 Canada E-mail: Serguei.Patchkovskii@nrc.ca; Skype: Serguei.Patchkovskii As a Research Council Officer, I support diverse research programs led by the members of the Theory and Computation Program at SIMS. My research interests include scientific computing technology and scientific software development; ultrafast dynamics and laser-molecule interaction; spectroscopy and dynamics of small molecules; electronic structure and dynamics of large molecules; nano-scale materials: electronic structure, dynamics, thermodynamics.

Prof. Daniela Pfannkuche
I'm a professor at the I. Institute for Theoretical Physics, University of Hamburg, Germany. My research interests gather around correlations, transport and dynamics in finite quantum systems. These might be realized in quantum dots (sometimes referred to as artificial atoms), ferromagnetic nanowires, and ultracold quantum gases. To understand the influence of particle correlations on the properties of these systems we mainly imploy numerical diagonalization, time-dependent nonequilibrium Keldysh theory, quantum Monte Carlo methods, as well as micromagnetic simulations.

Prof. John J. Rehr
Dept. of Physics, Box 351560, Univ. of Washington Seattle, WA 98195-1560. email: jjr@uw.edu My primary reserch interests in condensed matter physics involve excited state electronic structure, especially relating to photon and electron spectroscopies over a broad spectral range from the visible to x-rays. I am particularly interested in effects going beyond the quasi-particle and harmonic approximations. I have been particularly interested in quantitative calculations and code development. Our main approach has been the real-space GW/Green's function method based on an all electron relativistic formalism including key many-body effects as implemented in the FEFF codes. We have also been involved in the development of GW/BSE approaches for both optical and core-spectra, as implemented in the AI2NBSE [PRB 78, 205108 (2008)] and OCEAN codes. Recently we have become interested in real-time approaches, including a real-time TDDFT approach based on an extension of SIESTA [ JCP 127, 154114 (2007)] for linear and nonlinear response. We have developed a DFT-MD/XAS approach for the spectra of non-equilibrium structures [Phys. Rev. B 78, 121404(R),(2008)]. I am also a co-coordinator of the DOE Computational Materials Science Network (CMSN), and head of the Theoretical X-ray Beamline of the European Theoretical Spectroscopy Facility (ETSF).

Prof. Jan-Michael Rost
[|Finite Systems Department] at the //Max Planck Institute for the Physics of Complex Systems// in Dresden and ASG@CFEL, Hamburg/Germany. Focus areas of our department are finite systems (atoms, molecules and clusters....) interacting with intense radiation from the IR to the X-ray regime and highly excited systems in a cold environment including Rydberg dynamics and ultracold plasmas. We specialize in semiclassical and quasi-classical approaches. Some recent papers can be found [|here].

Dr. Ulf Saalmann
Finite Systems Department at the //Max Planck Institute for the Physics of Complex Systems// in Dresden/Germany. Among other things I'm interested in the dynamics of many-particle systems (mainly atomic clusters) upon irradiation with intense laser pulses with wavelength ranging from the infrared to the Xray regime, which implies the application of classical and quantum methods. Furthermore I work on time-dependent transport in nano-scale devices by means of non-equilibrium Green's function and quantum master equation approaches.

Dr. Alejandro Saenz
Department of Physics, Humboldt-Universität zu Berlin, Germany. Research interests: theoretical atomic, molecular, and optical physics. The present focus of the group lies on atoms and especially molecules in intense ultrashort laser pulses (from understanding to coherent control) and ultracold atoms in optical lattices. Group page: []

Prof. Dilano K. Saldin
Department of Physics, University of Wisconsin-Milwaukee. Research interests: all aspects of diffraction physics, including light, x-rays and high- and low-energy electrons, radiation from new light sources, such as the free-electron laser, multiple scattering theory, direct methods of structure determination, holography, crystallogaphy, structure of biomolecules.

Prof. Robin Santra
Center for Free-Electron Laser Science, DESY; Department of Physics, University of Hamburg. Research interests: ionization dynamics and inner-shell physics of atoms, molecules, and clusters; strong-field and electron-correlation effects in the EUV and x-ray regimes; applications of short-wavelength free-electron lasers; ultrafast laser-induced phenomena; electronic many-body theory. Group page: []

Prof. Anthony Starace
Department of Physics and Astronomy, The University of Nebraska-Lincoln. Research interests: attosecond science; ultrafast atomic and molecular processes; intense laser interactions with atoms and molecules (strong field physics); photoionization and multiphoton ionization of atoms; few-body interactions; theoretical atomic physics. Web page: []

Prof. Wim Vanroose
Department of Mathematics and Computer Science, University Antwerpen, Belgium. Research interest. Numerical solution of Large scale Partial differential equations for realistic problems. - Scattering problems in atoms and Molecules. - Efficient time integration of the quantum mechanical system. - Helmholtz equation in seismic and electromagnetic scattering. - pattern formation in complex systems. - Multiscale solution methods such as Multigrid. - Iterative methods for Linear and Non Linear PDEs

Prof. Agnes Vibok
University of Debrecen, Department of Theoretical Physics. (Presently on sabbatical leave at University of Heidelberg, Institute of Physical Chemistry, Theoretical Chemistry.) Research interest: Atomic and molecular physics. Quantum chemistry. Developing theoretical methods to study the electronic structure of atoms and molecules. Electronic structure of biomolecular systems. Intermolecular interactions (hydrogen bonds and Van der Waals interactions). Complex absorbing potentials in time dependent quantum dynamics. Non-adiabatic molecular dynamics. Non-adiabatic coupling terms in atomic and molecular systems containing degenerate electronic states. Laser-induced non-adiabatic effects. Web: [|http://www.phys.unideb.hu/~vibok]

Dr. Zach Walters
I received my Ph.D. from the University of Colorado at Boulder in 2009 and currently work at the Max Born Institute in Berlin. My research interests include strong field tunneling in molecules and the dynamics of ultrafast electronic processes.