CCP5 Annual General Meeting 2023

43rd edition

University of Warwick, 11th-13th of September 2023

Registration Closed


The CCP5 Annual General Meeting The CCP5 Annual General Meeting will be held at the University of Warwick, starting after lunch on Monday 11th Sept and finishing with lunch on Wednesday 13th Sept 2023, sponsored by CCP5 and the RSC Statistical Mechanics & Thermodynamics Group. The conference aims to showcase talks from the modelling community with new members and PhD students particularly encouraged to submit talks and posters. We have excellent invited speakers. There will be contributed talks (17 min + 3 min questions) and a poster session. We strongly encourage everyone to submit a poster even if you apply for a talk.

Abstract submission closes on May 31 and registration on July 15. The fee for the AGM is £250, which includes all meals (lunches and dinners), refreshments and 2 nights of accommodation (11th and 12th). A special fee of £120 will be available for University of Warwick Staff/Students Only (no accommodation)

Key dates

Talk and Poster Submission deadline:31st of May 2023

Contributed talk decision: 15th of June

Registration deadline: 15th of July 2023

Payment deadline: 1st of August 2023


more info in Travel section

Organising Committee

  • Prof David Quigley, University of Warwick
  • Dr Peter Brommer, University of Warwick
  • Prof Paola Carbone, University of Manchester
  • Dr Alin Elena, STFC Daresbury Laboratory


Registration is now closed!

Please note the registration is handled by STFC.

No payment request will be made until acceptance when you will receive an official email. If in doubt contact Alin Elena at

Invited Speakers


The meeting will start at 2PM on the Monday the 11th of September. A conference dinner will take place on the same evening. Tuesday will end with a poster session and drinks reception, followed by dinner at an on-campus venue. The conference will finish with lunch on Wednesday 13th September.

Day 1 - September 11th Title Location
12:00 - 14:00 Arrival / Registration - no lunch
14:00 - 14:15 Start - Welcome Address Prof. Paola Carbone University of Manchester & Prof. David Quigley, University of Warwick PLT
14:15 - 15:00 Prof. Clare McCabe, Heriot-Watt University, Edinburgh - Designing Thin Films for Nanoscale Lubrication through a Molecular Dynamics Screening Approach PLT
15:00 - 15:45 Prof. Gábor Csányi - University of Cambridge - Machine learning potentials for soft systems PLT
15:45 - 16:20 Refreshments Physics Concourse
16:20 - 16:40 Matthew Brown - University of Manchester - Application of the Quantum Chemical Topology Force Field FFLUX to Molecular Crystals PLT
16:40 - 17:00 Gabriel Bramley - Cardiff University - Formation of Precursors to the First C-C Bond from Methanol on Zeolites PLT
17:00 - 17:20 Dr Chris Williams - University of Manchester - Predicting the Shape of Drug Molecules using Machine Learned Potentials PLT
19:30 - Conference Dinner Chancellors Suite, Rootes Building
Day 2 - September 12th
9:15 - 10:00 Prof. Paola Gallo - University Roma Tre, Rome, Italy - Simulations of water and aqueous solutions under extreme conditions: the important role of computer molecular dynamics PLT
10:00 - 10:20 Prof. Ruslan Davidchack - University of Leicester - Chemical potential and surface free energy of a hard spherical particle in hard-sphere fluid over the full range of particle diameters PLT
10:20 - 10:40 Lois Smith - University of Manchester - Water Transport in Graphite and Hexagonal Boron Nitride Mixed Nano-channels PLT
10:40 - 11:15 Refreshments Physics Concourse
11:15 - 12:00 Dr Edris Joonaki - TUV SUD, National Engineering Laboratory, SMTG Early Career Prize Winner - The Role of Thermodynamics in Achieving Net Zero & Energy Transition Strategies PLT
12:00 - 12:20 Geraldine Anis - University of Warwick - Dislocation dynamics in Ni-based superalloys from atomistic simulations PLT
12:20 - 12:40 Dr Harvey Devereux - Queen Mary University of London - Calculating system properties on the fly in DL_POLY PLT
12:40 - 14:00 Lunch Rootes Restaurant
14:00 - 14:45 Prof. Daniel Crawford - Virginia Tech, Director of MolSSI - PLT
14:45 - 15:05 Chris Woodgate - University of Warwick - Magnetism Matters: Modelling Atomic Arrangements in Multicomponent Alloys PLT
15:05 - 15:30 Refreshments Physics Concourse
15:30 - Poster Session Physics Cnncourse
Day 3 - September 13th
9:00 - 9:45 Dr Sara Sangtarash - University of Warwick - Quantum Engineering of Molecular Junctions for Thermoelectric Energy Harvesting PLT
9:45 - 10:05 Dr Zsuzanna Koczor-Benda - University of Warwick - Machine learning for molecular design of plasmonic nanosystems PLT
10:05 - 10:25 Dr Federica Zanca - Daresbury Laboratory STFC - High-throughput computational design and discovery of conductive materials in the CSD MOF subset PLT
10:25 - 11:00 Refreshments Physics Councourse
10:00 - 11:45 Dr Colin Freeman - University of Sheffield - How Minerals can control the Life and Decay of Molecules PLT
11:45 - 12:30 Nicodemo di Pasquale - Brunel University - Perspective on the direct calculation of the solid-liquid interfacial free energies PLT
12:30 - Concluding remarks & Lunch Rootes Restaurant
13:00 - 14:00 Departure



Instructions to travel to the University of Warwick and campus maps are provided at


The meeting will take place in the main physics lecture theatre – PLT. Tea/coffee breaks and the Tuesday 12th poster session will take place on the adjacent concourse.


On campus ensuite accommodation for two nights is included in the registration fee. Breakfast and dinner are included and will be served in an on-campus restaurant. Lunch is included for Tuesday 12th and Wednesday 13th September. The conference banquet will take place on Monday 11th and is also included in the registration fee.


Parking will be available on the central university campus. Attendees wishing to park on campus will need to register their vehicle. Further details will follow with registration confirmation.



For more information do not hesitate to contact Alin M Elena