University of California, Riverside

Department of Electrical and Computer Engineering

First Principles Approaches to Design of Materials with applications to Nanoelectronics

First Principles Approaches to Design of Materials with applications to Nanoelectronics


Dr. William A. Goddard, III

California Institute of Technology
Pasadena, CA

When: Tuesday, January 13, 2009
Time: 2:00pm - 3:00pm
Location: A265 Bourns Hall


Advances in theoretical and computational chemistry are making it practical to consider fully first principles (de novo) predictions of important systems and processes in the Chemical, Biological, and Materials Sciences. Our approach to applying first principles to such systems is to build a hierarchy of models each based on the results of more fundamental methods but coarsened to make practical the consideration of much larger length and time scales. Connecting this multi-paradigm multi-scale hierarchy back to quantum mechanics enables the application of first principles to the coarse levels essential for practical simulations of complex systems.
We will highlight some recent advances in methodology and will illustrate them with recent applications to problems involving Nanoelectronics selected from
• Conductance properties of Nanoelectronic switches and carbon nanotube interconnects
• Switching mechanism and structures in Stoddart-Heath molecular memories
• Capacitance and inductance in CNT circuits
• Low energy electron enhanced etching in microelectronics processing
• Dynamical processes in highly excited electronic systems
• DNA origami based self-assembly of CNT devices
• thermoelectric properties of Si nanowires
• NDR in self assembled monolayers

About the Speaker:

William A. Goddard III is the Charles and Mary Ferkel Professor of Chemistry, Materials Science and Applied Physics, and Director of Materials and Process Simulation Center at the California Institute of Technology. He obtained his B.S. from the University of California, Los Angeles, in 1960 and his Ph.D. from the California Institute of Technology, 1965. After his Ph. D. he remained at the California Institute of Technology as Arthur Amos Noyes Research Fellow (1964-66), Professor of Theoretical Chemistry (1967-78) and Professor of Chemistry & Applied Physics (1978-1984).

Autobiography of the early period in Goddard's career: "Critical Points and Random Events that Shaped the Early Career of William A. Goddard III" in J. Phys. Chem. A 104, 2147 (2000) (the Goddard Festschrift containing articles celebrating Goddard's 60th birthday


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