Programma van KNCV-CTC Spring Symposium
| Op vrijdag 27 maart: | |
| 10:00 - 10:25 | Walk-in |
| 10:25 - 10:30 | Welcome |
| 10:30 - 11:00 | Invited speaker: Daria Gamilberti (RU) |
| 11:00 - 11:30 | Invited speaker: Olivier Bequignon (UL) |
| 11:30 - 11:45 | Contributed talk: Mike Pauls |
| 11:45 - 12:00 | Contributed talk: Daria Babushkina |
| 12:00 - 13:30 | Lunch + Posters |
| 13:30 - 14:00 | Invited speaker: Thomas Jansen (RUG) |
| 14:00 - 14:30 | Invited speaker: David Araripe (RUG) |
| 14:30 - 14:45 | Contributed talk: Alexander Kolganov |
| 14:45 - 15:00 | Contributed talk: Emiel Slootman |
| 15:00 - 15:30 | Coffee/tea |
| 15:30 - 15:45 | KNCV/CTC Prize |
| 15:45 - 16:15 | Invited speaker; Sofia Calero (TUE) |
| 16:15 - 17:30 | Drinks & Snacks |
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Van 10:00 tot 10:25
Walk-in
+ coffee/tea
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Van 10:30 tot 11:00
Invited speaker: Daria Gamilberti (RU)
Being fast without cutting corners in free energy calculations and spectroscopy
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Van 11:30 tot 11:45
Contributed talk: Mike Pauls
A Theoretical Perspective on Photocatalytic Chiral Resolution via Hydrogen Atom and Energy Transfer
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Van 11:45 tot 12:00
Contributed talk: Daria Babushkina
Fast and generalizable generation of transition state guess structures via system-specific force fields
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Van 12:00 tot 13:30
Lunch + Posters
Atrium, ground floor
13.00-13.30 GENERAL ASSEMBLY CTC MEMBERS
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Van 14:30 tot 14:45
Contributed talk: Alexander Kolganov
Origin of the 31P NMR Chemical Shift in Lewis Acid Adducts of Triethylphosphine Oxide. Does the Gutmann-Beckett Method Relate to Lewis Acid Strength?
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Van 14:45 tot 15:00
Contributed talk: Emiel Slootman
QMCkl: Software Strategies for Accelerating Quantum Monte Carlo
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Van 15:45 tot 16:15
Invited speaker; Sofia Calero (TUE)
'Bridging Simulation and Reality: From Molecular Insight to Sustainable Materials Design'
