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28 Nov 2011 |
Plasmon dispersion in molecular solids: picene and K$_3$ picene |
Pierluigi Cudazzo |
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21 Nov 2011 |
Microsolvation of carboxylic dianions |
Marius Wanko |
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3 Nov 2011 |
Perspectives on 2D (supra)molecular engineering: Scanning Tunneling Microscopy, Molecular Dynamics and Photochemistry at Interfaces |
Carlos Andres Palma (Max Planck Institut für Polymerforschung, Mainz, Germany) |
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17 Oct 2011 |
Towards rigurous formulation of the time-dependent (current) density functional theory |
I. V. Tokatly |
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10 Oct 2011 |
Quick visualization of 1D and 2D data |
Yann Pouillon |
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26 Sep 2011 |
Photosynthesis of vitamin D studied by nonadiabatic time-dependent density functional dynamics. Nonradiative transitions through vibronic coupling. |
Enrico Tapavicza (University of California, Irvine) |
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19 Sep 2011 |
How to construct a functional using DMRG results as reference |
Johanna Fuks |
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15 Sep 2011 |
Development and application of advanced sampling tools in computational and structural biology |
Dr. Max Bonomi (University of California -- San Francisco) |
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13 Sep 2011 |
Electronic Transport through Single Molecules: Master Equation Approaches |
Prof. Dr. Carsten Timm (Technische Universität Dresden, Germany) |
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12 Sep 2011 |
Non-adiabatic effects in one-dimensional one- and two- electron systems: the cases of the dihydrogen cation and the dihydrogen molecules |
Alison Crawford Uranga |
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12 Sep 2011 |
Transport in molecular Systems and master equation |
Robert Biele |
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18 Jul 2011 |
Strong electronic correlation in hydrogen chains: a Variational Monte Carlo study |
Lorenzo Estella |
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11 Jul 2011 |
Derivative discontinuity in transport |
Stefan Kurth |
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15 Jun 2011 |
Magnetic order of (LaVO3)m/SrVO3 superlattices |
Cosima Schuster (Universitat Augsburg) |
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14 Jun 2011 |
Entanglement: How to spook your distant neighbours |
Jessica Walkenhorst |
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6 Jun 2011 |
Thermoelectricity at the Nanoscale |
Roberto D'Agosta |
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3 Jun 2011 |
When a Metal Oxides Interface loves the Many Body effects … Aka “how the oxides are?” |
Federico Iori |
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23 May 2011 |
Theoretical spectroscopy of metal-insulator transitions in correlated electron materials |
Matteo Gatti |
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10 May 2011 |
Non-adiabatic contributions to the spectrum of simple molecular models: the case of the one-dimensional dihydrogen cation |
Alison Crawford Uranga |
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10 May 2011 |
Meta-GGAs exchange correlation potentials for optical properties calculations |
Fulvio Berardi |
