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Magical Mystery Tour of Electron Correlation

A Symposium in Honour of Jeppe Olsen on the Occasion of his 60th Birthday

About Jeppe Olsen

Throughout his whole career, Prof. Jeppe Olsen has worked on the hardest of all problems in quantum chemistry: the accurate treatment of electron correlation. Particularly important have been his many contributions to the development of multiconfigurational methods for static correlation, including efficient optimization techniques and advanced configuration-interaction methods. His pioneering contributions to time-dependent molecular properties established the framework and language of response theory in quantum chemistry, subsequently generalised and developed in many directions. He has contributed to the development and understanding of high-accuracy methods in quantum chemistry, including an explanation of divergence in Møller–Plesset theory. Jeppe Olsen is known to a whole generation of quantum chemists as an inspiring and influential teacher at European summer schools.

Jeppe Olsen, McDonald's, Aabybro, Denmark, 2015

Symposium

To honour Jeppe Olsen on the occasion of his 60th birthday (July 16 2016), 32 prominent scientists in the field of electronic-structure theory have been invited to present their recent work at the symposium, creating a broad picture of the state of the art. The meeting will take place at the Norwegian Academy of Science and Letters in Oslo.

Jeppe Olsen, Department of Chemistry, University of Aarhus, 1979

Program

The full program can be found here.

Program Monday 24 October

10:00 Registration opens

12:00 Lunch

12:50 Opening – Trygve Helgaker

Session I — chair Hans Ågren

13:00 Per-Åke Malmqvist, Lund University, Sweden (L1):
          Cr2 – the never-ending Story?

13:30 Hans Jørgen Aagaard Jensen, University of Southern Denmark, Denmark (L2):
          Magical mystery tour of correlation: What about MC-srDFT?

14:00 Laura Gagliardi, University of Minnesota, Minneapolis, USA (L3):
          Multireference methods for excited-states and transition-metal containing systems

14:30 Giovanni Li Manni, Max-Planck-Institute Stuttgart, Germany (L4):
          Combining Stochastic-CASSCF and Multi-Configuration Pair-Density Functional Theory

15:00 Coffee

Session II – chair Jürgen Gauss

15:30 Andreas Köhn, University of Stuttgart, Germany (L5):
          Extensivity and size consistency in multireference theories

16:00 Mihály Kállay, Budapest University of Technology and Economics, Hungary (L6):
          Exact density functional and wave function embedding schemes based on orbital localization

16:30 Hans-Joachim Werner, University of Stuttgart, Germany (L7):
          Explicitly correlated local coupled-cluster methods using pair natural orbitals

17:00 Janus Juul Eriksen, University of Mainz, Germany (L8):
          Efficient and portable acceleration of quantum chemical many-body methods in mixed floating point precision using OpenACC compiler directives

17:30 Coffee

Session III – chair Danny Yeager

18:00 Ove Christiansen, University of Aarhus, Denmark (L9):
          Tensor decomposition and vibrational coupled cluster theory

18:30 Antonio Rizzo, National Research Council, Pisa, Italy (L10):
          Nonlinear electronic (mainly chiral) spectroscopies: recent contributions of theory and calculation (and the story of the man and his quest for salt)

19:00 Timo Fleig, University Paul Sabatier, Toulouse, France (L11):
          The search for beyond-standard-model physics using atoms and molecules

19:30 Trond Saue, University Paul Sabatier, Toulouse, France (L12):
          Variational perturbation theory in geochemistry 

Program Tuesday 25 October

Session IV – chair Dage Sundholm

09:00 Hans Ågren, KTH Royal Institute of Technology, Stockholm, Sweden (L13):
          How to avoid the electron correlation problem

09:30 Frank Jensen, Aarhus University, Denmark, (L14):
          Modelling the electrostatic energy in force fields

10:00 Stephan P. A. Sauer, University of Copenhagen, Denmark (L15):
          Atomistic modelling of hadron radiation damage to DNA: from stopping powers to reaction kinetics

10:30 Per-Olof Åstrand, NTNU, Trondheim, Norway (L16):
          Platinum clusters with a carbon support material as catalysts: ReaxFF simulations and DFT calculations

11:00 Coffee

Session V – chair Peter Taylor

17:00 Dage Sundholm, University of Helsinki, Finland (L17):
          Three-dimensional fully numerical electronic structure theory methods

17:30 Kenneth Ruud, UiT The Arctic University of Norway, Tromsø, Norway (L18):
          Basis-set error-free calculations of energies and magnetic properties

18:00 Ida-Marie Høyvik, NTNU, Trondheim, Norway (L19):
          Density based Hartree–Fock energy optimization in a nonorthogonal molecular orbital basis

18:30 Poster Session 

Program Wednesday 26 October

Session VI – chair Henrik Koch

09:00 Filip Pawłowski, Aarhus University, Denmark (L20):
          A new formulation of response function theory and its application to non-standard wave-function models

09:30 Wim Klopper, Karlsruhe Institute of Technology, Germany (L21):
          GW/BSE: excitation energies from the Bethe–Salpeter equation

10:00 Kasper Kristensen, Aarhus University, Denmark (L22):
          LoFEx: A local framework for the calculation of CC excitation energies of large molecules

10:30 Coffee

Session VII – chair Per-Åke Malmqvist

11:00 Sonia Coriani, University of Trieste, Italy & DTU, Copenhagen, Denmark (L23):
          “Playing around” with coupled cluster response theory: How Jeppe Olsen (possibly) changed the course of my life...

11:30 Henrik Koch, NTNU, Trondheim, Norway & Stanford University, USA (L24):
          Multilevel coupled cluster methods for transient NEXAFS spectroscopy

12:00 Patrick Norman, KTH Royal Institute of Technology, Stockholm, Sweden (L25):
          The algebraic diagrammatic construction of the complex polarization propagator

12:30 Lunch

Session VIII — chair Ove Christiansen

14:00 Jürgen Gauss, University of Mainz, Germany (L26): 
          Some recent developments in equation-of-motion coupled-cluster methods for ionized states

14:30 Peter J. Knowles, Cardiff University, United Kingdom (L27):
          On the perturbative computation of ionization energies

15:00 Danny L. Yeager, Texas A&M University College Station, USA (L28):
          Recent developments and applications with the complex scaled multiconfigurational spin-tensor electron propagator method (CMCSTEP)

15:30 Coffee

Session IX — chair Antonio Rizzo

16:00 Kurt V. Mikkelsen, University of Copenhagen, Denmark (L29):
          Closed energy cycle light-harvesting, energy storage and release, with no emission of CO2

16:30 Roland Lindh, Uppsala University, Sweden (L30):
          An Olsen title for an Olsen symposium

17:00 Peter R. Taylor, Aarhus University, Denmark & University of Melbourne, Australia (L31):
          Numbers: redundancy in the wave function, surprises, and prizes!

17:30 Jack Simons, University of Utah, USA:
          Greetings from postdoctoral advisor from far away

17:45 Closing – Thomas Bondo Pedersen

19:30 Banquet 

Registration

Registration is free of charge but required if you would like to attend. Maximum capacity is 80 persons for the banquet and 105 for the conference.

Accommodation

Arrangment of the accommodation is left entirely to the participants (Hotel Gabelshus is the closest hotel - only 350 meters from the conference venue).

Directions

Det norske vitenskapsakademi (DNVA) is situated at Drammensveien 78. The location is close to tram line 13, see travel information here.

Eating Out

Lunch will be served (free of charge) at DNVA, but please indicate whether you would like lunch on Monday when you register. The banquet is on Wednesday evening (also sign up at registration), and it is open for accompanying persons. On Monday and Tuesday, the evening is "free", and here is a selection of restaurants to try, ranging from cheap yet excellent Asian cuisine to Michelin star awarded experiences.

Dining out in Norway may be expensive. Especially alcoholic drinks are pricey. The restaurants in the link above are chosen for their excellent quality/value balance.

Tipping is not compulsory, but if you are happy with the service and the food, you typically add/leave up to 10 % of the bill.

Sightseeing

There will not be much time for sightseeing during the symposium, but in case you are staying longer you can take a look here.

Participant list

The list of participants can be found here.

Organizer

CTCC
Published July 16, 2016 3:00 AM - Last modified Oct. 21, 2016 1:34 PM