The TMCS Symposium will be held on July 20th and 21st in the Physical & Theoretical Chemistry Laboratory, Oxford. The timetable for invited participants is shown below, and can also be downloaded as a pdf.
Thursday, July 20, 2017
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1:00 pm
[PTCL Common Room]
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Arrival, Registration, Coffee & Tea
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Session 1 Chair: David Logan
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1:30 pm to 1:40 pm
[lecture theatre]
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Welcome & Introduction
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1:40 pm to 2:20 pm
[lecture theatre] |
Grant Hill (Sheffield University) “A new, linear scaling method for the treatment of noncovalent interactions”
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2:20 pm to 2:45 pm
[lecture theatre]
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Cohort 1 presentation: Dan Tracey, “Designing patchy particles to form complex ordered structures”
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2:45 pm to 3:10 pm
[lecture theatre]
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Cohort 1 presentation: Tim Naginey “Including the effects of atomic bonding in TEM and STEM image simulations”
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3:10 pm to 3:35 pm
[common room]
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Coffee + tea break
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Session 2 Chair: Graeme Day
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3:35 pm to 4:00 pm
[lecture theatre]
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Cohort 1 presentation: Hannah Bruce Macdonald “Predicting water networks and ligand binding free energies in proteins using grand canonical Monte Carlo”
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4:00 pm to 4:25 pm
[lecture theatre]
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Cohort 1 presentation: James Lamb, “Electron transport in transition metal complexes”
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4:25 pm to 6:00 pm
[common room]
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Poster session (with refreshments) |
6:00pm-7:00pm |
For those staying over at St Anne's college: check in |
7:00 pm – 9:30 pm |
Symposium dinner. St Anne’s College
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Friday, July 21, 2017
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Session 3 Chair: Fred Manby
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9:30 am to 10:10 am
[lecture theatre]
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Gareth Tribello (Queen’s University Belfast) ”Calculating surface excess free energies using metadynamics”
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10:10 am to 10:35 am
[lecture theatre]
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Cohort 1 presentation: Jonathan Mannouch, “Exciton Relaxation Dynamics in π–Conjugated Polymer Systems”
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10:35 am to 11:05 am
[common room]
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Coffee + tea break
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Session 4 Chair: Natalie Fey
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11:05 am to 11:30 am
[lecture theatre]
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Cohort 1 presentation: Tim Wiles “Unsold-W12: A self-consistent double-hybrid density functional ingredient”
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11:30 am to 11:55 am
[lecture theatre]
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Cohort 1 presentation: Max Howell, “A DMFT Study of the Paramagnetic to Ferromagnetic transition of the Hubbard Model on the d=3 FCC lattice”
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12:00 pm to 1:30 pm
[JSR]
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Lunch |
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Session 5 Chair: Martin Galpin
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1:30 pm to 2:45 pm
(Lecture theatre for presentations,common room for demos)
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Outreach demos from cohorts 1 and 2: ChemGolf and Argon
with coffee and tea
[posters will remain up during this session]
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Session 6 Chairs: Jon Essex + TBC
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2:45 pm to 4:15 pm [lecture theatre] |
Careers discussion session
Short career vignettes: 3 x 15 minutes.
Andrew Leach (European Bioinformatics Institute, EMBL-EBI), Paul Finn (InhibOx Ltd), Steve Maginn (Chemical Computing Group)
Followed by panel discussion on careers in theoretical and computational chemistry.
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4:15 pm |
Closing remarks: Mark Wilson |