Computational Center for Molecular Structure and Interactions. Computational Center for Molecular Structure and Interactions Jackson State University. Investigators Jerzy Leszczynski Jackson State University Department of Chemistry
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Computational Center for Molecular Structure and Interactions
Computational Center for Molecular Structure and Interactions
Jackson State University
Jerzy LeszczynskiJackson State UniversityDepartment of Chemistry
Glake Hill, Jr.Jackson State UniversityDepartment of Chemistry
Ming-Ju HuangJackson State UniversityDepartment of Chemistry
Eric A. NoeJackson State UniversityDepartment of Chemistry
John WattsJackson State UniversityDepartment of Chemistry
Frank HagelbergJackson State UniversityDepartment of Physics
Tigran ShahbazyanJackson State UniversityDepartment of Physics
William Lester, Jr.University of California, BerkeleyDepartment of Chemistry
Computational Center for Molecular Structure and Interactions (CCMSI) is funded by the National Science Foundation (CREST program). The main goal of the Center is to establish a strong research and educational program in computational chemistry. The faculty members involved in this Center conduct collaborative research on the development of efficient computational methodologies and their application to the study of structures and properties of molecules ranging from model systems to large biomolecules. Three activities, focusing on applications of high-performance computational techniques are being carried out in the Center. These activities include: predictions of such phenomena as electric response properties in conjugated chains, dynamics of ureic compound, conformational properties of esters and amides, and interactions of nucleic and acid bases with polar solvents.
A major activity of the Center is focused on graduate students entering the recently approved Ph.D. program in chemistry and on lectures, workshops, seminar series, editing a book series and international scientific journals in the area of computational chemistry and summer research programs for undergraduate students. Training includes mentoring of undergraduate and graduate students and postdoctoral fellows.
Faculty: 8Post-Doctoral Associates: 9Visiting Scientists (per year): 20Graduate Students: 14Undergraduate Students: 6
Accomplishments for 2006-2007 Interactions
Editor “Structural Chemistry”, Kluwer/Plenum Press, 2004
Honorary Professorship, Wroclaw University of Technology, 2004
Outstanding Mississippi Chemist, ACS Mississippi Section, 2004
Million Dollar Grantsmanship Award, Jackson State University, 2004
The Most Published Faculty in College of Science,
Engineering and Technology Award, Jackson State University, 2004
Member, European Academy of Sciences, Arts and Humanities, 2004
Member of the Advisory Committee, The Benjamin Banneker Institute
for Science and Technology, 2004
President, US-Ukrainian Laboratory of Computational Chemistry, 2005
Southern School on Computational Chemistry
SSCC is an annual meeting of computational chemists primarily from the southern states. The meeting was first held in March, 2001 in Orange Beach, AL. This meeting is a good opportunity for the graduate and undergraduate students as well as the senior investigators to present the most recent results of their studies. The last meeting was attended by 85 participants.
Modelling and Design of Molecular Materials, workshop in Wroclaw, Poland, Sept. 16-20, 2004.
Modeling Interactions in Biomolecules, workshop in Nove Hrady, Czech Republic, Sept. 15-20, 2003.
2nd International Conference on Elementary Processes in Molecule-Metal Surface Interaction, San Juan, Puerto Rico, May 3-8, 2003.
Introduction to Molecular Modeling, Polish - American Workshop, Wroclaw, Poland, May 15-31, 2002.
Conference on Current Trends in Computational Chemistry
CCTCC is an annual conference that covers all areas of computational as well as quantum chemistry. The conference started in 1992. The last meeting that was held in Jackson, MS on November 12-13, brought together more than 200 computational and quantum chemists from 24 countries.
Dr. Walter Hollis,
Deputy Under Secretary
of the Army
Dr. Donald E. Thompson
Division of Human Resource Development, NSF
Dr. Joseph Bordogna,
Deputy Director , NSF
CCMSI Summer Institute
Every year CCMSI offers a summer institute (June 5-July 30 in 2005). This program is open to all graduate and undergraduate students interested in Computational Chemistry. The objective of the Institute is to teach students quantum and computational chemistry as well as general research skills. Institute’s participants will also engage in research projects with the CCMSI faculty.
(Wroclaw, Poland, September 16-20, 2004)
Workshop devoted to presentation of the contemporary computational methods and their applications in molecular modeling and design of molecular materials. Part of the lectures will be given by experimentalists involved in synthesis and testing of novel designed materials.
Computational Center for Molecular Structure and Interactions (CCMSI)
Jackson State University (JSU), Jackson, MS, USA
Dr Glake Hill together with six students supported by JSU attended this meeting:
Jason Ford Green
Meeting of Nobel Laureates with Students
Recent Ph. D. Graduates:
T. Robinson with Dr. W. Kohn.
Publications by Students (2003-2004)
Dr. J. A. Pople
Dr. G. Hill, Jr with Dr. J. Karle.
Dr. H. Hauptman
National and International Recognitions
Teri Robinson:Excellent Poster Presentation,Modelling and Design of Molecular Materials Workshop, Poland.Teri Robinson:Alonzo Crim Student Award for Excellence in Mathematics and/or Science, Washington, D.C.
Teri Robinson: Selected for the 54rd meeting of Nobel Laureates in Lindau, Germany, 2004.
Jason Ford-Green: Best poster award at 13th Conference on Current Trends in Computational Chemistry.
Courtney Watts: 2ndbest poster award at 13th Conference on Current Trends in Computational Chemistry.Glake Hill: Selected for the 52rd meeting of Nobel Laureates in Lindau, Germany, 2002.Teri Robinson: Best poster award at 12th Conference on Current Trends in Computational Chemistry.Jaroslaw Szymczak: 2nd best poster award at 12th Conference on Current Trends in Computational Chemistry.Reeshemah Allen: AGEM Conference. 2rd Place Graduate Student Oral Presentation Award.
Teri Robinson: AGEM Conference. 3rd Place Graduate Student Oral Presentation Award.
Tomekia Simeon: LSAMP Fellow.
Tomekia Simeon: Selected for Summer Fellowship at NRL with Dr. J. Karle (1985 Nobel Laureate)
Tomekia Simeon: Selected for the 55th meeting of Nobel Laureates in Lindau, Germany, 2006
Dr. Glake Hill: Presidential Post-Doctoral Fellowship at University of California at Berkley
Dr. Gareth Ford: Post-Doctoral Fellowship at Mt. Sinai Medical School, NY
52 Interactionsnd and 54th Meetings of Nobel Laureates
2002 & 2004