Différences entre les versions de « Program of the Workshop on "Advances in electronic structure theory" (draft) »

De Workshops
Aller à la navigation Aller à la recherche
 
(36 versions intermédiaires par 2 utilisateurs non affichées)
Ligne 1 : Ligne 1 :
'''<font color="red">WORKING VERSION</font>'''
 
  
 +
<big><big><big>Celebrating the contributions of Andreas Savin
 +
</big></big></big>
  
== Timetable ==
+
'''<font color="red">WORKING VERSION</font>'''
 +
== Program ==
  
 
{| border="5" |
 
{| border="5" |
! <font color="blue">Monday 27 April </font>  
+
! <font color="blue">Monday 27 April</font>
 
! <font color="blue">Tuesday 28 April</font>  
 
! <font color="blue">Tuesday 28 April</font>  
 
! <font color="blue">Wednesday 29 April</font>
 
! <font color="blue">Wednesday 29 April</font>
Ligne 11 : Ligne 13 :
 
!'''<font color="red">8:30-9:00 Arrivals</font>'''!! !!
 
!'''<font color="red">8:30-9:00 Arrivals</font>'''!! !!
 
|- align="left"
 
|- align="left"
! ''Chair: Hirao''
+
! ''Chair: Gori-Giorgi''
'''9:00-9:30 Baerends'''
+
'''9:00-9:30 Ayers'''
  
'''9:30-10:00 Adamo'''
+
'''9:30-10:00 Chan'''
  
'''10:00-10:30 Burke'''
+
'''10:00-10:30 Scuseria'''
  
!''Chair: XXX''
+
!''Chair: Angyan''
'''9:00-9:30 Mukherjee'''
+
'''9:00-9:30 Burke'''
  
'''9:30-10:00 Chan'''
+
'''9:30-10:00 Yang'''
  
'''10:00-10:30 Scuseria'''
+
'''10:00-10:30 Pernal'''
  
!''Chair: XXX''
+
!''Chair: Dovesi''
 
'''9:00-9:30 Umrigar'''
 
'''9:00-9:30 Umrigar'''
  
Ligne 39 : Ligne 41 :
 
<font color="green">10:30-11:00 Coffee break</font>
 
<font color="green">10:30-11:00 Coffee break</font>
 
|-align="left"
 
|-align="left"
!''Chair: XXX''
+
!''Chair: Reinhardt''
 
'''11:00-11:30 Stoll'''
 
'''11:00-11:30 Stoll'''
  
 
'''11:30-12:00 Saue'''
 
'''11:30-12:00 Saue'''
  
!''Chair: XXX''
+
!''Chair: Silvi''
'''11:00-11:30 Pernal'''
+
'''11:00-11:30 Adamo'''
  
'''11:30-12:00 Ayers'''
+
'''11:30-12:00 Memorial Ziegler'''
  
!''Chair: XXX''
+
!''Chair: Alikhani''
 
'''11:00-11:30 Filippi'''
 
'''11:00-11:30 Filippi'''
  
Ligne 60 : Ligne 62 :
 
!
 
!
 
|-align="left"
 
|-align="left"
! ''Chair: XXX''
+
! ''Chair: Hirao''
 
'''14:00-14:30 Jensen'''
 
'''14:00-14:30 Jensen'''
  
'''14:30-15:00 Luppi'''
+
'''14:30-15:00 Fromager'''
  
'''15:00-15:30 Fromager'''
+
'''15:00-15:30 Luppi'''
  
! ''Chair: XXX''
+
! ''Chair: Baerends''
 
'''14:00-14:30 Gross'''
 
'''14:00-14:30 Gross'''
  
'''14:30-15:00 Maitra'''
+
'''14:30-15:00 van Leeuwen'''
  
'''15:00-15:30 van Leeuwen'''
+
'''15:00-15:30 Casida'''
  
! ''Chair: XXX''
+
! ''Chair: Piquemal''
 
'''14:00-14:30 Maday'''
 
'''14:00-14:30 Maday'''
  
'''14:30-15:00 Flad'''
+
'''14:30-15:00 Rebolini'''
  
 
'''15:00-15:30 Lewin'''
 
'''15:00-15:30 Lewin'''
Ligne 87 : Ligne 89 :
 
!
 
!
 
|-align="left"
 
|-align="left"
! ''Chair: XXX''
+
! ''Chair: Toulouse''
 
'''16:00-16:30 Grabowski'''
 
'''16:00-16:30 Grabowski'''
  
Ligne 94 : Ligne 96 :
 
'''17:00-17:30 Wesolowski'''
 
'''17:00-17:30 Wesolowski'''
  
! ''Chair: XXX''
+
! ''Chair: Reining''
'''16:00-16:30 Yang'''
+
'''16:00-16:30 Maitra'''
  
 
'''16:30-17:00 Ullrich'''
 
'''16:30-17:00 Ullrich'''
Ligne 101 : Ligne 103 :
 
'''17:00-17:30 Gatti'''
 
'''17:00-17:30 Gatti'''
  
! ''Chair: XXX''
+
! ''Chair: Parisel''
'''16:00-16:30 Helgaker'''
+
'''16:00-16:30 Mussard'''
  
'''16:30-17:00 Talk'''
+
'''16:30-17:00 Helgaker'''
  
'''17:00-17:30 Talk'''
 
  
 
|-align="left"
 
|-align="left"
!  <font color="green">19:30 Dinner?</font>  
+
!  <font color="green"></font>  
!  <font color="green">19:30 Dinner?</font>  
+
!  <font color="green"></font>  
 
!  <font color="green"></font>
 
!  <font color="green"></font>
 
!
 
!
 
|}
 
|}
 
  
 
== Talks ==
 
== Talks ==
Ligne 122 : Ligne 122 :
 
* Kieron Burke, ''Systematic approach to density functional approximations''
 
* Kieron Burke, ''Systematic approach to density functional approximations''
 
* Michel Caffarel, ''Fixed-Node Diffusion Monte Carlo with CI-type trial wavefunctions''
 
* Michel Caffarel, ''Fixed-Node Diffusion Monte Carlo with CI-type trial wavefunctions''
 +
* Mark Casisa, ''Challenge of time-dependent density-functional theory for photochemistry''
 
* Garnet Chan, ''dynamical correlation in multireference problems''
 
* Garnet Chan, ''dynamical correlation in multireference problems''
 
* Emmanuel Fromager, ''State-averaged multi-determinant density-functional theory based on ensembles and range separation''
 
* Emmanuel Fromager, ''State-averaged multi-determinant density-functional theory based on ensembles and range separation''
 
* Claudia Filippi, ''Quantum Monte Carlo for excited-state calculations in complex environments''
 
* Claudia Filippi, ''Quantum Monte Carlo for excited-state calculations in complex environments''
* Heinz Jurgen Flad, '' ''
 
 
* Matteo Gatti, ''Dynamical screening: plasmons, excitons and photoemission satellites''
 
* Matteo Gatti, ''Dynamical screening: plasmons, excitons and photoemission satellites''
 
* Peter Gill, ''Using Quantum Monte Carlo and wave function methods to improve density functional theory''
 
* Peter Gill, ''Using Quantum Monte Carlo and wave function methods to improve density functional theory''
* Paola Gori-Giorgi, '' ''
 
 
* Irek Grabowski, ''Orbital-dependent second-order scaled-opposite-spin correlation functional in the optimized effective potential method''
 
* Irek Grabowski, ''Orbital-dependent second-order scaled-opposite-spin correlation functional in the optimized effective potential method''
 
* Hardy Gross, '' ''
 
* Hardy Gross, '' ''
* Trygve Helgaker, '' ''
+
* Trygve Helgaker, ''DFT in magnetic fields''
 
* Hans Jørgen Jensen, ''Status and perspectives for multiconfiguration short-range density functional theory''
 
* Hans Jørgen Jensen, ''Status and perspectives for multiconfiguration short-range density functional theory''
 
* Mathieu Lewin, ''On the Lieb-Oxford inequality: best constant, gradient correction and the homogeneous electron gas''
 
* Mathieu Lewin, ''On the Lieb-Oxford inequality: best constant, gradient correction and the homogeneous electron gas''
 
* Eleonora Luppi, ''Basis convergence in range-separated density-functional theory and in time-propagation methods''
 
* Eleonora Luppi, ''Basis convergence in range-separated density-functional theory and in time-propagation methods''
* Yvon Maday, '' ''
+
* Yvon Maday, ''Some elements of analysis for Andreas' systematic way to correct density functional approximation''
 
* Neepa Maitra, ''Dynamics of Charge-Transfer in Time-Dependent Density Functional Theory''
 
* Neepa Maitra, ''Dynamics of Charge-Transfer in Time-Dependent Density Functional Theory''
* Debashis Mukherjee, '' ''
+
* Bastien Mussard, ''RPA''
 
* Kasia Pernal, ''A computationally efficient geminal-based method for accurate description of chemical systems''
 
* Kasia Pernal, ''A computationally efficient geminal-based method for accurate description of chemical systems''
 +
* Elisa Rebolini, ''Calculating excitation energies by extrapolation along adiabatic connections''
 
* Trond Saue, ''Electron correlation in a relativistic perspective''
 
* Trond Saue, ''Electron correlation in a relativistic perspective''
 
* Gustavo Scuseria, ''A quantum chemistry view of the strong correlation problem''
 
* Gustavo Scuseria, ''A quantum chemistry view of the strong correlation problem''
Ligne 147 : Ligne 147 :
 
* Robert van Leeuwen, ''The density to potential mapping in time-dependent density-functional theory''
 
* Robert van Leeuwen, ''The density to potential mapping in time-dependent density-functional theory''
 
* Tomasz Wesolowski, ''The issue of orthogonality in Frozen-Density Embedding Theory''
 
* Tomasz Wesolowski, ''The issue of orthogonality in Frozen-Density Embedding Theory''
* Weitao Yang, '' ''
+
* Weitao Yang, ''Fractional Perspectives of DFT and Local Scaling Corrections''
 
 
 
 
 
 
  
 
== Constraints ==
 
== Constraints ==

Dernière version du 11 avril 2015 à 08:18

Celebrating the contributions of Andreas Savin

WORKING VERSION

Program

Monday 27 April Tuesday 28 April Wednesday 29 April
8:30-9:00 Arrivals
Chair: Gori-Giorgi

9:00-9:30 Ayers

9:30-10:00 Chan

10:00-10:30 Scuseria

Chair: Angyan

9:00-9:30 Burke

9:30-10:00 Yang

10:00-10:30 Pernal

Chair: Dovesi

9:00-9:30 Umrigar

9:30-10:00 Alavi

10:00-10:30 Caffarel

10:30-11:00 Coffee break

10:30-11:00 Coffee break

10:30-11:00 Coffee break

Chair: Reinhardt

11:00-11:30 Stoll

11:30-12:00 Saue

Chair: Silvi

11:00-11:30 Adamo

11:30-12:00 Memorial Ziegler

Chair: Alikhani

11:00-11:30 Filippi

11:30-12:00 Gill

12:00-14:00 Lunch at "L'Ardoise" Tower 25 12:00-14:00 Lunch at "L'Ardoise" Tower 25 12:00-14:00 Lunch at "L'Ardoise" Tower 25
Chair: Hirao

14:00-14:30 Jensen

14:30-15:00 Fromager

15:00-15:30 Luppi

Chair: Baerends

14:00-14:30 Gross

14:30-15:00 van Leeuwen

15:00-15:30 Casida

Chair: Piquemal

14:00-14:30 Maday

14:30-15:00 Rebolini

15:00-15:30 Lewin

15:30-16:00 Coffee break 15:30-16:00 Coffee break 15:30-16:00 Coffee break
Chair: Toulouse

16:00-16:30 Grabowski

16:30-17:00 Teale

17:00-17:30 Wesolowski

Chair: Reining

16:00-16:30 Maitra

16:30-17:00 Ullrich

17:00-17:30 Gatti

Chair: Parisel

16:00-16:30 Mussard

16:30-17:00 Helgaker


Talks

  • Carlo Adamo,
  • Ali Alavi, Calculation of pure expectation values and properties from FCIQMC
  • Paul Ayers, A Mean-Field Description of Strong Correlation Using Antisymmetric Products of Interacting Geminals
  • Kieron Burke, Systematic approach to density functional approximations
  • Michel Caffarel, Fixed-Node Diffusion Monte Carlo with CI-type trial wavefunctions
  • Mark Casisa, Challenge of time-dependent density-functional theory for photochemistry
  • Garnet Chan, dynamical correlation in multireference problems
  • Emmanuel Fromager, State-averaged multi-determinant density-functional theory based on ensembles and range separation
  • Claudia Filippi, Quantum Monte Carlo for excited-state calculations in complex environments
  • Matteo Gatti, Dynamical screening: plasmons, excitons and photoemission satellites
  • Peter Gill, Using Quantum Monte Carlo and wave function methods to improve density functional theory
  • Irek Grabowski, Orbital-dependent second-order scaled-opposite-spin correlation functional in the optimized effective potential method
  • Hardy Gross,
  • Trygve Helgaker, DFT in magnetic fields
  • Hans Jørgen Jensen, Status and perspectives for multiconfiguration short-range density functional theory
  • Mathieu Lewin, On the Lieb-Oxford inequality: best constant, gradient correction and the homogeneous electron gas
  • Eleonora Luppi, Basis convergence in range-separated density-functional theory and in time-propagation methods
  • Yvon Maday, Some elements of analysis for Andreas' systematic way to correct density functional approximation
  • Neepa Maitra, Dynamics of Charge-Transfer in Time-Dependent Density Functional Theory
  • Bastien Mussard, RPA
  • Kasia Pernal, A computationally efficient geminal-based method for accurate description of chemical systems
  • Elisa Rebolini, Calculating excitation energies by extrapolation along adiabatic connections
  • Trond Saue, Electron correlation in a relativistic perspective
  • Gustavo Scuseria, A quantum chemistry view of the strong correlation problem
  • Hermann Stoll, Filling the gap between pseudopotential and all-electron schemes
  • Andy Teale, Towards simple density-functional approximations from accurate ab initio theory
  • Carsten Ullrich, Towards nonempirical hybrid functionals for excitonic properties in solids
  • Cyrus Umrigar, Ground-state quantum Monte Carlo methods and the sign problem
  • Robert van Leeuwen, The density to potential mapping in time-dependent density-functional theory
  • Tomasz Wesolowski, The issue of orthogonality in Frozen-Density Embedding Theory
  • Weitao Yang, Fractional Perspectives of DFT and Local Scaling Corrections

Constraints

  • Lucia Reining can chair only the first or second day
  • Kimihiko Hirao can chair only the first day
  • Neepa Maitra cannot talk after 2pm on the last day
  • Roberto Dovesi cannot chair after 2pm on the last day
  • Tomasz A. Wesolowski cannot talk on the last day
  • Kasia Pernal cannot talk on the first morning or on the last afternoon