Program of the MPD meeting

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Another previous discussion meeting a long time ago.

Talks - format and purpose

Time slots will be allocated for short presentations of no more than ~10-15min, just enough to present ONE specific point briefly and to open questions for the discussion. So it will not be usual types of scientific presentations, but unformal talks with the purpose to stimulate discussions and save a lots of space for it.

Schedule

• Each of the three days the meeting will start at 9:00. Finishing time will be at ~18:00 (no later than 18:30 at most).
• Coffee beaks will take place between 9:45-10:15 and 15h15-15h45 (16h00-16h30 on Wednesday 6th). Time schedule is unfortunately not flexible due to availability constraints of the coffee breaks room.
• Lunches will take place be between 12:00 and 14:00 (buffet lunch in the IHP building), starting/finishing when we choose during this time frame.

Program

The program is meant to be flexible, and can be modified/adjusted on demand and in the course of the meeting.

Monday 4 May	Tuesday 5 May	Wednesday 6 May
Day topic: grid techniques, algorithms and implementations	Day topic: what to compute and search for?	Day topic: recent and potential applications
Braïda Frey Acke (1) Dalphin (1)	Menéndez Martín Pendás (1) Acke (2)	Martín Pendás (2) Sax (2) Causà (2)
12:00-14:00 Lunch	12:00-14:00 Lunch	12:00-14:00 Lunch
Dalphin (2) Causà (1) Agostini (1)	Lüchow Sax (1) Discussion: structuring a European network	Calatayud Agostini (2) Discussion: perspectives on MPD development

Speakers by order of appearance:

• Benoît Braïda : "Opening"
• Pascal Frey : "Adaptative grid techniques"
• Guillaume Acke (1) : "Implementing maximum probability domains: description of the current algorithm"
• Jeremy Dalphin (1) : "Recent advances in algorithms"
• Jeremy Dalphin (2) : "MPD beyond single-determinant wave functions"
• Mauro Causà (1) : "Implementation of MPD in solid state"
• Federica Agostini (1) : "Recent advances in implementation"
• Marcos Menéndez San Francisco : "What can be computed from MPDs? Basic examples from simple covalent, ionic, and multiple bonding systems"
• Ángel Martín Pendás (1) : "A potpourri: what to search for, how to quantify information from MPDs"
• Guillaume Acke (2) : "Implementing maximum probability domains: ‘foreseeable' pitfalls"
• Arne Lüchow : "Topological analysis of the many-electron probability |Psi|^2"
• Alexander Sax (1) : "The connection between spin coupling in OVB and MP of the active electrons in chemical reactions."
• Ángel Martín Pendás (2) : "MPDs in molecular electrides"
• Alexander Sax (2) : "What triggers changes in the spin rearrangements when reactants approach?"
• Mauro Causà (2) : "Recent applications of MPD in solid state"
• Monica Calatayud-Antonino : "Potential applications in material science"
• Federica Agostini (2) : "Recent advances in applications"

Complete list of participants
Guillaume Acke Federica Agostini Benoît Braïda Monica Calatayud-Antonino Eric Cancès Mauro Causà Hilaire Chevreau Giovanni Ciccotti Jeremy Dalphin Dominik Domin Jeremy Foulon Pascal Frey Arne Lüchow Marcos Menéndez San Francisco Ángel Martín Pendás Andreas Savin Alexander Sax Jan Turek Rodolphe Vuilleumier

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