DIRECTED STUDIES
CHEN 491-508
SPRING 2013
Instructor Information:
Name: Jorge M. Seminario
Research URL: http://research.che.tamu.edu/groups/Seminario/index-1.html
Office: 239 JEB
E-mail: seminario@tamu.edu
Course time: No Formal Classes, student and instructor meet once or twice a week on an individual or
group basis
Office hours: please e-mail ahead to schedule an appointment out of the regular weekly meetings.
Virtual office hours: 24 hours a day, seven days a week. Just send me your question by e-mail and I will
respond.
Skills Pre-requisite: you are expected to have the ability to have basic knowledge in chemistry,
programming and materials.
Course Goals
 To introduce all students to the basics and tools of the exciting field of nanotechnology and
nanomaterials; become familiar with Ab-initio and molecular dynamics software; be able to analyze
the results given by the simulation programs and apply them according to their research project
objectives.
 Conduct research on molecular, atomistic level, analysis and design of devices and systems for fields
such as molecular electronics and nano-architectures.
Bibliography
Here are two interesting books edited by the instructor:
 Jorge M. Seminario, Molecular and Nano Electronics, Elsevier, 2006
 P. B. Balbuena and J. M. Seminario, Nanomaterials: Design and Simulation, Elsevier 2006.
Other very important books are:
 Exploring Chemistry with Electronic Structure Methods, James B. Foresman and Elen Frisch, 2nd ed.,
Gaussian, Inc., 1993.
 Electronic Structure Calculations for Solids and Molecules, Jorge Kohanoff, , Cambridge, 2006
 Molecular Electronics, Aviram, M. Ratner, and V. Mujica (ed.), II, NYAS, 2003.
 Molecular Electronics, James M. Tour, World Scientific; (2003)
 Modern Quantum Chemistry, A. Szabo and N. S. Ostlund, MacMillan, New York (1982)
 Silicon Quantum Integrated Circuits, E. Kasper and D.J. Paul, Springer
 Atoms, Molecules and Clusters in Electric Fields, G. Maroulis, Imperial College Press (2006)
 Gaussian 2009 Information
 Crystal 2006 Information
 VASP 2009 Information
 LAMMPS Molecular Dynamics Program information
Policies and Procedures:
Americans with Disabilities Act (ADA) Policy Statement
The Americans with Disabilities Act (ADA) is a federal anti-discrimination statute that provides
comprehensive civil rights protection for persons with disabilities. Among other things, this legislation
requires that all students with disabilities be guaranteed a learning environment that provides for
reasonable accommodation of their disabilities. If you believe you have a disability requiring an
accommodation, please contact the Department of Student Life, Services for Students with Disabilities, in
Room 126 of the Koldus Building or call 845-1637.
The Texas A&M University Academic Integrity Statement
“An Aggie does not lie, cheat, or steal or tolerate those who do”
The Aggie Honor Code provides a standard of conduct in which each student promises not to lie, cheat, or
steal and not to tolerate violations by others. I support the Aggie code and I assume the students do also.
Remember that the honor system can be effective only if everyone supports it! For further information,
please see the Academic Integrity Task Force, 2004 at
http://www.tamu.edu/aggiehonor/FinalTaskForceReport.pdf. In summary, do not cheat on exams, test,
quizzes, or homework. Please spare me the difficulty of seeing those sorts of cases through the
prosecution system.