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Dr. Laimutis Bytautas

Chemistry Department
Rice University
MS-60, PO Box 1892, Houston, Texas

Brief Biography:

Laimutis Bytautas was born in Kretinga, Lithuania, in 1965. He received the Theoretical Physics degree from Vilnius University, Lithuania, in 1990. L. Bytautas received the Ph.D. degree in Physical Chemistry from Vanderbilt University, Nashville, USA, in 1996 (Ph.D. thesis title: “Theoretical Studies of Chemical Reactions”). From 1996 to 1999 he was a post-doctoral research associate at Texas A&M University at Galvestion, Texas, USA. From 1999 to 2003 L. Bytautas was a post-doctoral research associate at Iowa State University, Ames Laboratory USDOE, Ames, Iowa. From 2003 to 2010, L. Bytautas occupied a position of Assistant Scientist at Iowa State University, Ames Laboratory USDOE, Ames, Iowa. From 2010 to 2011, he was a Research Scientist at Rice University. Presently, L. Bytautas is a Senior Research Associate at Rice University, Chemistry Department. His primary research interests are in Theoretical and Computational Chemistry including method development in electronic structure theory with applications to potential energy surfaces, rotational-vibrational spectroscopy, long-range interactions and chemical binding. L. Bytautas is also interested in electronic properties of nanomaterials (graphene in particular), classification of isomer classes of acyclic hydrocarbons, and analysis of polymer folding using mathematical models based on the concept of fractals. His most recent research efforts are focused on development of new ab initio quantum mechanical methods to address an electron correlation problem (L. Bytautas is a co-developer of the CEEIS-FCI method). His Editorial duties include a Lead Guest Editorship for the Special Issue entitled “Accurate Potential Energy Surfaces and Beyond: Chemical Reactivity, Binding, Long Range Interactions and Spectroscopy” in Advances of Physical Chemistry. L. Bytautas is a member of the Editorial Board for the journal: ISRN Physical Chemistry (International Scholarly Research Network (ISNR) series of journals,Hindawi Publishers, 2011-present). He is a member of the American Chemical Society (2001-present).


Academic positions:

2/2011-present: Senior Research Associate ,
(Department of Chemistry, Rice University, Houston, TX,USA)

2/2010-1/2011: Research Scientist, (Department of Chemistry, Rice University, Houston, TX,USA)

2003 - 1/2010: Assistant Scientist,(Ames Laboratory USDOE and Iowa State University, Ames, IA,USA)

1999 - 2003: Postdoctoral Research Associate (Ames Laboratory USDOE and Iowa State University, Ames, IA,USA)

1996 - 1999: Postdoctoral Research Associate, (Department of Marine Sciences, Texas A&M University at Galveston,Galveston, TX,USA)

1991 – 1996: Ph. D. in Physical Chemistry
(Vanderbilt University, Nashville, TN,USA)

1990 – 1991: Research Associate, Institute of Theoretical Physics and Astronomy, Vilnius, Lithuania.


Research interests:

Ab initio method development for the electronic structure.

Long-range non-covalent interactions.

Covalent binding.

Potential energy surfaces of molecules.

Rotational-vibrational spectroscopy.

Polymer/protein structure and folding.

Environmental chemistry.

Chemical reactivity of toxic substances.


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