Earlier we demonstrated that the existing classical theories of stochastic dynamics cannot reproduce the results of a molecular dynamics simulation. A quantum mechanical theory does, however, reproduce those results in the non-Markovian regime and in the limit of zero Planck's constant. We are continuing our efforts to convert the quantum mechanical theory into a classical analogue using the Wagner functional.

Agency
National Institute of Health (NIH)
Institute
Food and Drug Administration (FDA)
Type
Intramural Research (Z01)
Project #
1Z01BI004002-05
Application #
3770265
Study Section
Project Start
Project End
Budget Start
Budget End
Support Year
5
Fiscal Year
1993
Total Cost
Indirect Cost