Peter Coveney is to give three talks at the 253rd ACS National Meeting in San Francisco, California, April 2-6, 2017. The first talk will be audio-recorded and be made available shortly after the event.
1) High performance and/or cloud computing for free energy prediction using molecular dynamics simulations?
DIVISION: Division of Computers in Chemistry
SESSION: Should I Move My Computational Chemistry or Informatics Tools to the Cloud?
DAY & TIME OF PRESENTATION: Sunday, April, 02, 2017 from 2:05 PM – 2:35 PM
ROOM & LOCATION: Nob Hill – InterContinental San Francisco
2) Rapid, accurate, precise and reliable relative free energy prediction using ensemble based thermodynamic integration
DIVISION: Division of Chemical Information
SESSION: Advances in High-Throughput Screening
DAY & TIME OF PRESENTATION: Monday, April, 03, 2017 from 1:45 PM – 2:10 PM
ROOM & LOCATION: Metropolitan I – Park Central San Francisco
3) Computer-based design of advanced materials: Chemically specific multiscale modelling of polymer-clay nanocomposites
DIVISION: Division of Chemical Information
SESSION: Materials Informatics & Computational Modeling
SESSION TIME: 8:30 AM – 12:00 PM
DAY & TIME OF PRESENTATION: Sunday, April, 02, 2017 from 11:35 AM – 12:00 PM
ROOM & LOCATION: Metropolitan I – Park Central San Francisco