KITP Conference: From Basic Concepts to Real Materials http://www.kitp.ucsb.edu/online/excitcm_c09/ KITP Conference: From Basic Concepts to Real Materials KITP Conference: From Basic Concepts to Real Materials en-us © 2009 by the individual authors doug@kitp.ucsb.edu webmaster@kitp.ucsb.edu Fri, 06 Nov 2009 13:20:24 -0800 Fri, 06 Nov 2009 13:20:24 -0800 Education http://blogs.law.harvard.edu/tech/rss 240 Many-Body Perturbation Theory Approach to Excitations in Solids and Nanostructures from First Principles http://online.kitp.ucsb.edu/online/excitcm_c09/louie/ Steven Louie (UC Berkeley) (Steven Louie (UC Berkeley)) Steven Louie (UC Berkeley) http://online.kitp.ucsb.edu/online/excitcm_c09/louie/ Fri, 06 Nov 2009 11:50:00 -0800 47:51 GW Quasi-Particle Spectra from Occupied States Only http://online.kitp.ucsb.edu/online/excitcm_c09/umari/ Paolo Umari (SISSA/ISAS) (Paolo Umari (SISSA/ISAS)) Paolo Umari (SISSA/ISAS) http://online.kitp.ucsb.edu/online/excitcm_c09/umari/ Fri, 06 Nov 2009 11:30:00 -0800 18:51 Nonlinear Optics from First Principles: A Time-Density Functional-Theory Approach http://online.kitp.ucsb.edu/online/excitcm_c09/luppi/ Eleonora Luppi (Ecole Polytechnique) (Eleonora Luppi (Ecole Polytechnique)) Eleonora Luppi (Ecole Polytechnique) http://online.kitp.ucsb.edu/online/excitcm_c09/luppi/ Fri, 06 Nov 2009 11:10:00 -0800 17:30 Quantum Monte Carlo for Materials: Recent Progress and Future Prospects http://online.kitp.ucsb.edu/online/excitcm_c09/ceperley/ David Ceperley (UIUC) (David Ceperley (UIUC)) David Ceperley (UIUC) http://online.kitp.ucsb.edu/online/excitcm_c09/ceperley/ Fri, 06 Nov 2009 10:00:00 -0800 43:50 Continuum Quantum Monte Carlo Methods: Introduction, Recent Developments, Successes, Failures, and Prospects http://online.kitp.ucsb.edu/online/excitcm_c09/foulkes/ Matthew Foulkes (Imperial College) (Matthew Foulkes (Imperial College)) Matthew Foulkes (Imperial College) http://online.kitp.ucsb.edu/online/excitcm_c09/foulkes/ Fri, 06 Nov 2009 09:00:00 -0800 56:20 Long-Range Nonlocal Correlation in Approximate Density Functionals: RPA and JMP2 http://online.kitp.ucsb.edu/online/excitcm_c09/janesko/ Benjamin Janesko (Rice Univ.) (Benjamin Janesko (Rice Univ.)) Benjamin Janesko (Rice Univ.) http://online.kitp.ucsb.edu/online/excitcm_c09/janesko/ Thu, 05 Nov 2009 12:19:00 -0800 32:08 Quantum Chemistry: Standard Methods and New Frontiers in Wave Function Theory http://online.kitp.ucsb.edu/online/excitcm_c09/headgordon/ Martin Head-Gordon (UC Berkeley) (Martin Head-Gordon (UC Berkeley)) Martin Head-Gordon (UC Berkeley) http://online.kitp.ucsb.edu/online/excitcm_c09/headgordon/ Thu, 05 Nov 2009 11:10:00 -0800 51:31 Towards First Principles Electronic Structure Method Based on Dynamical Mean Field Theory: What Can we Currently Do and What Needs to be Done to Make it Happen http://online.kitp.ucsb.edu/online/excitcm_c09/kotliar/ Gabriel Kotliar (Rutgers) (Gabriel Kotliar (Rutgers)) Gabriel Kotliar (Rutgers) http://online.kitp.ucsb.edu/online/excitcm_c09/kotliar/ Thu, 05 Nov 2009 10:00:00 -0800 44:48 Materials Design using Correlated Materials? -- A Dynamical Mean Field View http://online.kitp.ucsb.edu/online/excitcm_c09/biermann/ Silke Biermann (EPT, CPHT) (Silke Biermann (EPT, CPHT)) Silke Biermann (EPT, CPHT) http://online.kitp.ucsb.edu/online/excitcm_c09/biermann/ Thu, 05 Nov 2009 09:00:00 -0800 45:52 The Self-Energy Beyond GW: Local and Non-Local Vertex Corrections http://online.kitp.ucsb.edu/online/excitcm_c09/romaniello/ Pina Romaniello (Ecole Polytechnique) (Pina Romaniello (Ecole Polytechnique)) Pina Romaniello (Ecole Polytechnique) http://online.kitp.ucsb.edu/online/excitcm_c09/romaniello/ Wed, 04 Nov 2009 14:40:00 -0800 21:48 Effective Coulomb Interaction and Downfolded Self-Energy of Many-Electron Systems http://online.kitp.ucsb.edu/online/excitcm_c09/aryasetiawan/ Ferdi Aryasetiawan (Chiba Univ.) (Ferdi Aryasetiawan (Chiba Univ.)) Ferdi Aryasetiawan (Chiba Univ.) http://online.kitp.ucsb.edu/online/excitcm_c09/aryasetiawan/ Wed, 04 Nov 2009 14:00:00 -0800 40:41 When Many-Body Matters: The CO Adsorption Puzzle and Optical Properties of Color Centers http://online.kitp.ucsb.edu/online/excitcm_c09/rinke/ Patrick Rinke (UCSB) (Patrick Rinke (UCSB)) Patrick Rinke (UCSB) http://online.kitp.ucsb.edu/online/excitcm_c09/rinke/ Wed, 04 Nov 2009 11:50:00 -0800 46:16 Optical Spectroscopy of Graphene http://online.kitp.ucsb.edu/online/excitcm_c09/heinz/ Tony Heinz (Columbia Univ.) (Tony Heinz (Columbia Univ.)) Tony Heinz (Columbia Univ.) http://online.kitp.ucsb.edu/online/excitcm_c09/heinz/ Wed, 04 Nov 2009 11:10:00 -0800 38:52 Quasiparticle Self-Consistent GW Approximation Applied to Magnetic Systems http://online.kitp.ucsb.edu/online/excitcm_c09/vanschilfgaarde/ Mark van Schilfgaarde (ASU) (Mark van Schilfgaarde (ASU)) Mark van Schilfgaarde (ASU) http://online.kitp.ucsb.edu/online/excitcm_c09/vanschilfgaarde/ Wed, 04 Nov 2009 10:00:00 -0800 35:41 Many-Body Perturbation Theory: Approaches and Applications, Limitations and Good News http://online.kitp.ucsb.edu/online/excitcm_c09/reining/ Lucia Reining (EPT) (Lucia Reining (EPT)) Lucia Reining (EPT) http://online.kitp.ucsb.edu/online/excitcm_c09/reining/ Wed, 04 Nov 2009 09:00:00 -0800 1:01:58 The Spectral Function of Graphene by ARPES: Plasmons, Friction, Defects http://online.kitp.ucsb.edu/online/excitcm_c09/rotenberg/ Eli Rotenberg (LBNL) (Eli Rotenberg (LBNL)) Eli Rotenberg (LBNL) http://online.kitp.ucsb.edu/online/excitcm_c09/rotenberg/ Wed, 04 Nov 2009 04:30:00 -0800 38:10 Continuum Mechanics for Quantum Many-Body Systems http://online.kitp.ucsb.edu/online/excitcm_c09/vignale/ Giovanni Vignale (Univ. Missouri) (Giovanni Vignale (Univ. Missouri)) Giovanni Vignale (Univ. Missouri) http://online.kitp.ucsb.edu/online/excitcm_c09/vignale/ Wed, 04 Nov 2009 03:50:00 -0800 37:49 G0W0-RPA Study of the Momentum-Dependent Loss Function of Bulk Ag http://online.kitp.ucsb.edu/online/excitcm_c09/alkauskas/ Audrius Alkauskas (EPFL/CIME) (Audrius Alkauskas (EPFL/CIME)) Audrius Alkauskas (EPFL/CIME) http://online.kitp.ucsb.edu/online/excitcm_c09/alkauskas/ Wed, 04 Nov 2009 03:30:00 -0800 20:16 Electronic Structure and Transport in Semiconductor Nanostructures: Experiments and Theoretical Challenges http://online.kitp.ucsb.edu/online/excitcm_c09/lueth/ Hans Lueth (IBN) (Hans Lueth (IBN)) Hans Lueth (IBN) http://online.kitp.ucsb.edu/online/excitcm_c09/lueth/ Tue, 03 Nov 2009 16:10:00 -0800 51:15 Recent Theoretical Development for Local Excitations in Correlated Charge-Transfer Insulators http://online.kitp.ucsb.edu/online/excitcm_c09/ku/ Wei Ku (BNL) (Wei Ku (BNL)) Wei Ku (BNL) http://online.kitp.ucsb.edu/online/excitcm_c09/ku/ Tue, 03 Nov 2009 15:50:00 -0800 19:29 Dynamics at Metal Surfaces: Electronic Excitations http://online.kitp.ucsb.edu/online/excitcm_c09/tully/ John Tully (Yale Univ.) (John Tully (Yale Univ.)) John Tully (Yale Univ.) http://online.kitp.ucsb.edu/online/excitcm_c09/tully/ Tue, 03 Nov 2009 14:40:00 -0800 41:05 Time-Dependence and Optimal Control of Quantum Transport http://online.kitp.ucsb.edu/online/excitcm_c09/gross/ Eberhard Gross (MPI) (Eberhard Gross (MPI)) Eberhard Gross (MPI) http://online.kitp.ucsb.edu/online/excitcm_c09/gross/ Tue, 03 Nov 2009 14:00:00 -0800 34:46 Quantum Transport Beyond the Independent-Electron Approximation http://online.kitp.ucsb.edu/online/excitcm_c09/godby/ Rex Godby (Univ. of York) (Rex Godby (Univ. of York)) Rex Godby (Univ. of York) http://online.kitp.ucsb.edu/online/excitcm_c09/godby/ Tue, 03 Nov 2009 11:10:00 -0800 17:18 Reconstruction of Molecular Orbitals from Photoemission Data http://online.kitp.ucsb.edu/online/excitcm_c09/puschnig/ Peter Puschnig (Univ. Leoben) (Peter Puschnig (Univ. Leoben)) Peter Puschnig (Univ. Leoben) http://online.kitp.ucsb.edu/online/excitcm_c09/puschnig/ Tue, 03 Nov 2009 10:50:00 -0800 40:31 Single Molecule Junctions: Transport and Mechanics http://online.kitp.ucsb.edu/online/excitcm_c09/venkataraman/ Latha Venkataraman (Columbia Univ.) (Latha Venkataraman (Columbia Univ.)) Latha Venkataraman (Columbia Univ.) http://online.kitp.ucsb.edu/online/excitcm_c09/venkataraman/ Tue, 03 Nov 2009 09:40:00 -0800 31:28 Electron Transport at the Molecular Scale: A Biased Overview http://online.kitp.ucsb.edu/online/excitcm_c09/burke0/ Kieron Burke (UC Irvine) (Kieron Burke (UC Irvine)) Kieron Burke (UC Irvine) http://online.kitp.ucsb.edu/online/excitcm_c09/burke0/ Tue, 03 Nov 2009 09:00:00 -0800 42:31 The ABINIT Project : Software Engineering Techniques Meet Simulation of Materials and Nanosystems http://online.kitp.ucsb.edu/online/excitcm_c09/gonze/ M. Xavier Gonze (Univ. C. Louvain) (M. Xavier Gonze (Univ. C. Louvain)) M. Xavier Gonze (Univ. C. Louvain) http://online.kitp.ucsb.edu/online/excitcm_c09/gonze/ Mon, 02 Nov 2009 16:10:00 -0800 39:30 Spin-Excitations from Density-Functional Theory and Beyond http://online.kitp.ucsb.edu/online/excitcm_c09/bluegel/ Stefan Bluegel (FZ-Juelich) (Stefan Bluegel (FZ-Juelich)) Stefan Bluegel (FZ-Juelich) http://online.kitp.ucsb.edu/online/excitcm_c09/bluegel/ Mon, 02 Nov 2009 15:50:00 -0800 23:40 Theory of Ultrafast Interactions on Nanoscales: Combining Density Matrix and Density Functional Theory http://online.kitp.ucsb.edu/online/excitcm_c09/knorr/ Andreas Knorr (Univ. Berlin) (Andreas Knorr (Univ. Berlin)) Andreas Knorr (Univ. Berlin) http://online.kitp.ucsb.edu/online/excitcm_c09/knorr/ Mon, 02 Nov 2009 14:40:00 -0800 39:30 The Minnesota Density Functionals http://online.kitp.ucsb.edu/online/excitcm_c09/truhlar/ Donald Truhlar (Univ. Minnesota) (Donald Truhlar (Univ. Minnesota)) Donald Truhlar (Univ. Minnesota) http://online.kitp.ucsb.edu/online/excitcm_c09/truhlar/ Mon, 02 Nov 2009 14:00:00 -0800 41:46 Infrared Optical Response of Ferromagnetic Semiconductors: Interplay Between Impurity Scattering and Dynamical Many-Body Effects http://online.kitp.ucsb.edu/online/excitcm_c09/ullrich/ Carsten Ullrich (Univ. Missouri) (Carsten Ullrich (Univ. Missouri)) Carsten Ullrich (Univ. Missouri) http://online.kitp.ucsb.edu/online/excitcm_c09/ullrich/ Mon, 02 Nov 2009 12:10:00 -0800 20:12 Accurate Van der Waals Interactions from Ground-State Electron Density http://online.kitp.ucsb.edu/online/excitcm_c09/tkatchenko/ Alexandre Tkatchenko (MPG) (Alexandre Tkatchenko (MPG)) Alexandre Tkatchenko (MPG) http://online.kitp.ucsb.edu/online/excitcm_c09/tkatchenko/ Mon, 02 Nov 2009 11:40:00 -0800 21:27 Van der Waals Interactions in Density Functional Theory http://online.kitp.ucsb.edu/online/excitcm_c09/langreth/ David Langreth (Rutgers) (David Langreth (Rutgers)) David Langreth (Rutgers) http://online.kitp.ucsb.edu/online/excitcm_c09/langreth/ Mon, 02 Nov 2009 11:10:00 -0800 35:53 Improving Density Functionals for Solids http://online.kitp.ucsb.edu/online/excitcm_c09/perdew/ John Perdew (Tulane Univ.) (John Perdew (Tulane Univ.)) John Perdew (Tulane Univ.) http://online.kitp.ucsb.edu/online/excitcm_c09/perdew/ Mon, 02 Nov 2009 10:00:00 -0800 43:41 Challenges and Perspectives from (TD) Density Functional Theory: From Low-Dimensional Structures to Real Material http://online.kitp.ucsb.edu/online/excitcm_c09/rubio/ Angel Rubio (EHU, Spain) (Angel Rubio (EHU, Spain)) Angel Rubio (EHU, Spain) http://online.kitp.ucsb.edu/online/excitcm_c09/rubio/ Mon, 02 Nov 2009 09:00:00 -0800 1:00:23 Welcome http://online.kitp.ucsb.edu/online/excitcm_c09/einhorn/ Martin Einhorn (KITP Deputy Director) (Martin Einhorn (KITP Deputy Director)) Martin Einhorn (KITP Deputy Director) http://online.kitp.ucsb.edu/online/excitcm_c09/einhorn/ Mon, 02 Nov 2009 08:50:00 -0800 05:55