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computational project 1

A Computational Approach to Chemistry
A Symposium to Honour the Career of David Hirst

Huub van Dam
CCRLC Daresbury Laboratory, Warrington, WA4 4AD
h.j.j.vandam@dl.ac.uk

Conference program, Thursday 25, September

10.00 - 11.00 Registration and Coffee (Chemistry C523)

Session 1
Chair: Prof. David Clary F.R.S. (University of Oxford)

11.00 - 11.45 Prof. Peter Knowles (University of Birmingham) Some new challenges and advances in quantum chemistry

11.45 - 12.30 Prof. Gabriel Balint-Kurti (University of Bristol) Potential Energy Surfaces and Molecular Dynamics

12.30 - 14.00 Lunch

Session 2
Chair: Prof. Martyn Guest (Daresbury Laboratory)

14.00 - 14.45 Prof. M.S. Child, F.R.S. (University of Oxford) Ab initio R matrix/MQDT theory for very high electronic states of NO

14.45 - 15.30 Dr Tim Wright (Sussex University) Studies of Molecular Complexes: Theory versus Experiment and Experiment versus Theory

15.30 - 16.00 Tea

Session 3
Chair: Prof. Nick Handy, F.R.S. (Cambridge University)

16.00 - 16.45 Dr Jonathan Hirst (University of Nottingham) A computational approach to biochemistry

17.00 Drinks reception in the Department of Chemistry
19.00 Banquet in the Sutherland Suite

Recollections ...

... of a long-time colleague

My first recollection of David was in January 1957 at the practical exam (!) set for those short-listed for the Jesus College Oxford entrance scholarships. I can claim therefore to have known him longer than practically anyone else still alive. David, not being very Welsh, in fact went on to Queen's College: had he come to Jesus he would have ended up as a Raman spectroscopist as that was the only thing on offer for part 2 apart from peptide synthesis, and so he clearly made right career move.

Our paths crossed again when we both joined Warwick as it opened in October 1965. I cannot clearly recall David in our earliest weeks as a School of Molecular Sciences in 108 Kenilworth Road, but came to know him well once we got going in our `East Site' building. The early years were marked by the need to develop entire lecture and laboratory courses at zero notice while sharing an office with at least one and often two other junior academics. There was no such thing as lighter teaching loads for probationers - rather the opposite. We were both appointed `Assistant Lecturers' a grade so low in status it was soon abolished. David always remained calm in these exciting, even turbulent times - within 3 years of our appointment Warwick was riven by files scandals and student sit-ins.

We survived this however, supported by our respective wives, who are long standing friends, and sets of 3 children, not at all disorientated by the constantly changing name of the Department.

David is a quiet man (not meant to associate him with IDS) but has been a distinguished researcher and a consummate examinations secretary for many years, making thus a great contribution to the Department. This contribution will be greatly missed.

Terry Kemp
Deputy Chair,
Department of Chemistry,
University of Warwick

... of an Oxford contemporary

Dear David,

While I recall many pleasant conversations, half pints of bitter at the King's Arms, and lunches at Queen's College as your "guest" (you and others paid with meal tickets which I reimbursed with coin of the realm while officials of Queen's looked the other way at this slight impropriety), I remember especially an incident that occurred in Boston when you were doing a postdoc at Harvard and I was visiting Cambridge. You met me at the airport and we were driving back to Cambridge chatting about the driving conditions in the downtown Boston area. At that time, there was a bridge, the name of which I can no longer recall, nor can I remember its purpose other than to collect toll in both directions; perhaps it was the bridge into Charlestown. The secret of driving in this area of Boston was to get to Memorial Drive without going over this bridge because all you could do on the other side was to find a place to turn around and return. You had scouted this out by this time, having fallen into the trap of paying double tolls more than once. As you were decrying the inadequacies of sign posts and other roadside amenities in Boston, you became so wrapped up in the story that you found yourself hurtling over the bridge yet again. At the time, it struck us both as hilarious.

I have no idea why that incident has stuck in my brain. Perhaps because it was indeed funny.

In spite of being navigationally challenged by the streets of Boston, you have distinguished yourself in a research career in theoretical chemistry while I, recognizing a singular lack of talent for the field, have found a rewarding life in awarding grants and occasionally corresponding with you when I needed a review of a proposal.

I hope your retirement provides you with the time to do those things you find most rewarding and the joy of missing committee meetings you no longer need attend.

With best regards,
Bill

William H. Kirchhoff
Office of Basic Energy Sciences SC-141
U.S. Department of Energy
Washington DC 20585

... of a graduate student

David,

Congratulations for a long and distinguished career!

At this moment there is little to say except a BIG THANK YOU for all the support, advice and encouragement you showed me over the years.

It was pleasure doing the PhD course in your group although sometimes it looked as if I was taking a "bumpy-ride" through the "theoretical landscapes" I was investigating. Nevertheless your trust and generosity made me feel more of a collaborator than a student and I successfully achieved my goal under your supervision.

It isn't only the scientific knowledge I am grateful for but also I would like to THANK YOU for the unique moments I shared with you and your family on special days, for lovely chats about music and art and ...gardening. All my best wishes are with you and Judith.

Enjoy many happy years in the future.

Luminita Jitariu
University of Manchester

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