A theory-guided approach to molecular electronics Conference Paper

abstract

• 2003 IEEE. The analysis, design, and simulation of molecular electronics systems requires of a theoretical bottom-up approach as an alternative to the top-down or phenomenological approach still used for microelectronics. Our approach consists in the use precise quantum first-principles (ab initio) theories to analyze, design, and simulate molecular electronic devices and systems for molecular electronics in order to obtain precise characteristics of all elements involved on a molecular chip. These ab initio results are used in nonlinear circuit solvers that permit us to combine highly nonlinear devices in a molecular circuit allowing us to determine "programmability" features of molecular devices. If this is the case, the molecules are proposed as potential candidates for chemical synthesis and further more precise analyses are performed including molecular dynamics simulations that allow studying the effects of pressure and temperature on the molecular chip.

name of conference

• 2003 Third IEEE Conference on Nanotechnology, 2003. IEEE-NANO 2003.

authors

• Seminario, Jorge

published proceedings

• 2003 THIRD IEEE CONFERENCE ON NANOTECHNOLOGY, VOLS ONE AND TWO, PROCEEDINGS

author list (cited authors)

• Seminario, J. M.

citation count

• 6

complete list of authors

• Seminario, JM

publication date

• January 2003

publisher

• Institute of Electrical and Electronics Engineers (IEEE)  Publisher

published in

• Proceedings of the ... IEEE Conference on Nanotechnology / co-sponsored by IEEE Robotics and Automation Society (RAS) ... [et al.]. IEEE Conference on Nanotechnology  Journal

keywords

• Ab Initio
• DFT
• Meda
• Molecular Devices
• Moletronics
• Nanoelectronics

Digital Object Identifier (DOI)

• 10.1109/nano.2003.1231718

International Standard Book Number (ISBN) 10

• 0-7803-7976-4

start page

• 75

end page

• 78

volume

• 1

URL

• http%3A%2F%2Fdx.doi.org%2F10.1109%2Fnano.2003.1231718