Chemistry, Materials Science, and Applied Physics
Director, Materials and Process Simulation Center
B.S. - University of California, Los Angeles, 1960.
The long-term objective of Professor Goddard's research has been to describe the properties of chemical, biological, and materials systems directly from first principles (without the necessity of empirical data). To accomplish this the group has been developing new theory, new methods, and new software. The group's approach builds from Quantum Mechanics (QM) through a hierarchy of more approximate methods suitable for longer length and times scales as indicated in the figure including Molecular Dynamics (MD), mesoscale dynamics, and macroscopic dynamics. The couplings between the length scales provide the means of determining the parameters [e.g. Force Fields (FF)] essential in the coarser descriptions. This research in methods involves
These methods are applied methods to critical problems in chemical, biological, and materials systems. Usually in such problems, there is a dearth of reliable experimental data, and hence they validate their new methods by application to problems well characterized experimentally. Areas of current research interest include:
Most of these projects involve collaborations with experimentalists at Caltech, other universities, national laboratories, or industry.
For further information refer to The Materials and Process Simulation Center Home Page