All lecture sessions will be in The Palmerston Room, Fisher Building, St John's College.
Saturday, 24 July
| 2pm-10pm |
Registration in Fisher Building St John's College. |
| 7pm |
Reception, St Catharine's College - Main Court. (5 mins walk from St John's College, along King's Parade) |
Sunday, 25 July
| 8.40-8.45 |
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Announcements |
| 8.45-9.00 |
Sir David King |
Opening Remarks |
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Keiji Morokuma |
Chair |
| 9.00-9.10 |
David Buckingham |
Career of Nicholas Handy as an academic colleague |
| 9.10-10.05 |
Nicholas Handy |
(i) Density functional theory, (ii) Quantum Monte Carlo" (The Molecular Physics Lecture) |
| 10.05-10.40 |
Mike Robb |
Can photochemistry be explained by a reaction path alone? |
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| 10.40-11.10 |
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Coffee - Fisher Building Foyer |
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Wim Klopper |
Chair |
| 11.10-11.50 |
Emily Carter |
Reduced scaling electron correlation methods |
| 11.50-12.20 |
H-Joachim Werner |
Application of local correlation methods to chemical reactions |
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| 12.30-2.00 |
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Lunch - St John's College Hall |
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Julia Rice |
Chair |
| 2.10-2.50 |
Michele Parrinello |
Exploring complex energy surfaces |
| 2.50-3.20 |
Ursula Röthlisberger |
Successes and failures of DFT for biological systems |
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| 3.20-4.00 |
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Tea- Fisher Building Foyer |
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David Sherrill |
Chair |
| 4.00-4.35 |
Evert Jan Baerends |
Avoided crossings, vibronic coupling and the issue of double excitations in TDDFT |
| 4.35-5.10 |
Richard Friesner |
Modeling of protein active site chemistry using DFT based quantum chemical and mixed quantum mechanics/molecular mechanics methods |
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Jerzy Leszczynski |
Chair |
| 5.10-5.45 |
Gustavo Scuseria |
Recent progress in the development of exchange-correlation functionals |
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| 7.00-8.30 |
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Dinner- (Those resident at St John's only) -St John's College Hall |
| 8.30-10.30 |
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Poster Session 1- School of Pythagoras, St John's College |
Monday, 26 July
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Stuart Carter |
Chair |
| 9.00-9.15 |
Brian Sutcliffe |
Nicholas Handy and vibrating-rotating molecules |
| 9.15-10.05 |
Joel Bowman |
The path to progress in molecular vibration theory beyond the harmonic approximation: why is this necessary? (Plenary Lecture) |
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Curtis Janssen |
Chair |
| 10.05-10.40 |
Császár, Attila |
Accurate first-principles rovibrational spectroscopy |
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| 10.40-11.15 |
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Coffee- Fisher Building Foyer |
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Session Dedicated to John Pople |
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Peter Gill |
Chair |
| 11.15-11.50 |
Martin Head-Gordon |
Localized orbitals and local electron correlation |
| 11.50-12.25 |
Axel Becke |
Post Hartree-Fock correlation functionals |
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| 12.30-2.00 |
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Lunch - St John's College Hall |
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Peter Pulay |
Chair |
| 2.15-2.30 |
Roger Amos |
Development of analytic derivative methods in Cambridge |
| 2.30-3.20 |
Ernie Davidson |
Local spin, population analysis and DFT energetics (Plenary Lecture) |
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| 3.20-4.00 |
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Tea- Fisher Building Foyer |
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Sigrid Peyerimhoff |
Chair |
| 4.00-4.35 |
Jürgen Gauss |
High-accuracy coupled-cluster calculations of molecular geometries and rotational constants |
| 4.35-5.10 |
Piotr Piecuch |
Noniterative coupled-cluster methods for bond breaking, diradicals, and excited electronic states |
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Petr Carsky |
Chair |
| 5.10-5.45 |
Peter Taylor |
Molecular vibrations and molecular properties |
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| 7.00-8.30 |
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Dinner- (Those resident at St John's only) - St John's College Hall |
| 8.30-10.30 |
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Poster Session 2 - School of Pythagoras, St John's College |
Tuesday, 27 July
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Bill Green |
Chair |
| 9.00-9.15 |
Peter Knowles |
Nicholas Handy and full configuration interaction |
| 9.15-10.05 |
Bill Miller |
Beyond the quantum instanton: a more rigorous approach to quantum reaction rates (Plenary Lecture) |
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Bernie Brooks |
Chair |
| 10.05-10.40 |
Jean-Pierre Hansen |
Sedimentation equilibria in complex fluids: an application of classical density functional theory |
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| 10.40-11.15 |
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Coffee- Fisher Building Foyer |
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Pavel Rosmus |
Chair |
| 11.15-11.50 |
David Yarkony |
They are surfaces not isolated points: Conical Intersections of the two lowest electronic states in NH3 and H2COH |
| 11.50-12.25 |
Don Truhlar |
Computing thermochemistry and thermochemical kinetics |
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| 12.30-1.00 |
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Conference Photograph |
| 1.00-2.00 |
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Lunch - St John's College Hall |
| 2.00-7.00 |
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Free time |
| 7.00-8.30 |
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Dinner- (Those resident at St John's only) - St John's College Hall |
| 8.30-10.30 |
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Poster Session 3 - School of Pythagoras, St John's College |
Wednesday, 28 July
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Kimihiko Hirao |
Chair |
| 9.00-9.15 |
David Tozer |
Nicholas Handy and density functional theory |
| 9.15-10.05 |
Reinhart Ahlrichs |
Chemistry and quantum chemistry, a personal view (Plenary Lecture) |
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Jan Martin |
Chair |
| 10.05-10.40 |
Trygve Helgaker |
The application of density functional response theory to large molecular systems |
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| 10.40-11.15 |
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Coffee- Fisher Building Foyer |
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Paolo Lazzaretti |
Chair |
| 11.15-11.50 |
Per Siegbahn |
Quantum chemical studies of redox active enzymes |
| 11.50-12.25 |
Pekka Pyykkö |
The metallophilic attraction |
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| 12.30-2.00 |
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Lunch - St John's College Hall |
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Tim Lee |
Chair |
| 2.15-2.50 |
David Mazziotti |
A new algorithm for the variational
optimization of two-electron reduced density matrices with applications to atoms and molecules |
| 2.50-3.25 |
Daniel Crawford |
Coupled cluster calculations of optical rotation in chiral molecules |
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| 3.25-4.00 |
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Tea- Fisher Building Foyer |
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John Stanton |
Chair |
| 4.00-4.35 |
Ali Alavi |
Quantum Monte Carlo in the space of Slater determinants |
| 4.35-5.10 |
Anna Krylov |
Choosing the right tools: equation-of-motion tutorial through studies of the DMX anion. |
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Rod Bartlett |
Chair |
| 5.10-5.45 |
Wes Borden |
Does the Benson barrier to ring closure of trimethylene to cyclopropane exist? |
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Klaus Ruedenberg |
Chair |
| 5.45-6.10 |
Björn Roos |
Concluding Remarks |
| 7.00-7.30 |
Pre-banquet drinks (Ticket holders only) St. John's College Gardens (weather permitting) |
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| 7.30 |
Banquet (Ticket holders only) St. John's College Hall |