The summer school "Mixed Quantum-Classical Dynamics: Foundations and Application to Photo-Bilological Questions" will take place in Vienna, Austria, from July 7th to 12th, 2008.

 

Program


Topics

Lecturer

1. Photochemistry and photobiology

Theoretical aspects

H. Lischka

Experimental aspects

W. Fuss

2. Quantum chemistry: methods for excited state calculations

Multi-reference methods

H. Lischka

Time-dependent density functional theory

M. Elstner

Semi-empirical methods

M. Elstner

3. Excited-state dynamics simulations

Mixed quantum-classical dynamics methods (MQCD)

J. C. Tully

Recent developments in MQCD methods

M. Persico

Practical aspects in MQCD implementation

M. Barbatti

The full multiple spawning method

P. Slavicek

4. Hybrid methods in excited-state dynamics

Introduction to QM/MM

P. Sherwood

Excited-state dynamics with QM/MM

G. Groenhof

Environmental effects on a conical intersection

I. Burghardt

 

 

Jul 7

 Jul 8

Jul 9

Jul 10

Jul 11

Jul 12

  9:00 –   9:45

 

L3

L6

L9

L12

L15

  9:45 – 10:30

L4

L7

L10

L13

L16

10:30 – 11:00

Coffee break

11:00 – 11:45

L5

L8

L11

L14

L17

11:45 – 14:00

Lunch time

 

14:00 – 16:00

PW1

PW3

PW5

PW7

16:00 – 16:30

Regist.

Coffee break

16:30 – 18:00

PW2

PW4

 

PW6

17:45 – 18:00 Opening

18:00 – 18:45

L1

 

 

 

 

 

18:45 – 19:30

L2

 

 

 

 

Total time (h)

L – Lectures

12:45

PW – Practical computational work

12:30

 

 

Support