10:00 - 10:25

• Walk-in

  Meer informatie

  + coffee/tea

10:25 - 10:30

• Welcome

10:30 - 11:00

• Invited speaker: Daria Gamilberti (RU)

  Meer informatie

  Being fast without cutting corners in free energy calculations and spectroscopy

11:00 - 11:30

• Invited speaker: Olivier Bequignon (UL)

11:30 - 11:45

• Contributed talk: Mike Pauls

  Meer informatie

  A Theoretical Perspective on Photocatalytic Chiral Resolution via Hydrogen Atom and Energy Transfer

11:45 - 12:00

• Contributed talk: Daria Babushkina

  Meer informatie

  Fast and generalizable generation of transition state guess structures via system-specific force fields
  

12:00 - 13:30

• Lunch + Posters

  Meer informatie

  Atrium, ground floor

  13.00-13.30 GENERAL ASSEMBLY CTC MEMBERS

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

  Meer informatie

  Origin of the 31P NMR Chemical Shift in Lewis Acid Adducts of Triethylphosphine Oxide. Does the Gutmann-Beckett Method Relate to Lewis Acid Strength?

14:45 - 15:00

• Contributed talk: Emiel Slootman

  Meer informatie

  QMCkl: Software Strategies for Accelerating Quantum Monte Carlo

15:00 - 15:30

• Coffee/tea

15:30 - 15:45

• KNCV/CTC Prize

15:45 - 16:15

• Invited speaker; Sofia Calero (TUE)

  Meer informatie

  'Bridging Simulation and Reality: From Molecular Insight to Sustainable Materials Design'

16:15 - 17:30

• Drinks & Snacks