Focus Area Head
Faculty
Staff
 | Jarrell, Mark
Professor, Department of Physics & Astronomy |
| 2032 LDMC
• +1 225 578 7528 •
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 | Chen, Bin
Professor Department of Chemistry |
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| Among the greatest challenges for molecular simulation are the limited time and spatial scales that can be afforded using the current computer technology and simulation algorithms, especially when applied to complex biochemical problems. The goals of our research are to greatly expand the territory accessible to molecular simulation by circumventing these constraints and to develop an atom-based approach that can be used as a practical tool to provide important molecular-level information for long time-scale events of chemical, biological, and environmental interest. This research direction is fueled by our recent development of an aggregation-volume-bias Monte Carlo based technique that led to a series of successful studies of rare vapor-liquid nucleation events. Given that nucleation can be viewed as a common theme between the long time-scale events involved in phase transitions and those occurring in a broad range of biochemical systems (such as self-assembly and folding) due to the strong resemblance of their thermodynamic and kinetic characteristics, we see an opportunity to extend the methodology developed here to a wide range of challenging long time-scale problems. Some of this work has been featured as cover-pages of both June 14, 2007 and January 28, 2008 issues of Physical Chemistry Chemical Physics, and both June 18, 2009 and September 2, 2010 issues of Journal of Physical Chemistry C. | |
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 | Browne, Dana
Associate Chair and Professor of Physics Department of Physics & Astronomy |
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+1 225 578 6843 •
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 | Nikitopoulos, Dimitris
Professor and Chair Department of Mechanical Engineering |
| 2068 LDMC
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| Dimitris Nikitopoulos is a Professor and Chair of the Department of Mechanical Engineering. His research interests include turbulent dispersed two-phase flows, spray and mist-systems, fire suppression, micro-fluidics, internal turbine blade cooling, non-linear stability analysis, and direct numerical simulations. | |
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 | Hung, Francisco
Cain Assistant Professor Department of Chemical Engineering |
| 2056 LDMC
• 225-578-3546 •
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| In our research we investigate the properties of different soft matter systems at the molecular level, using computational modeling and molecular simulation. Our computer simulations can provide molecular-level information that might be difficult or impossible to capture in experiments. Our research is relevant to applications in energy, nanomaterials and nanotechnology, and biomolecular and environmental studies. Current areas of interest are molecular modeling of ionic liquids confined in nanoporous materials; manipulation, alignment, and organization of carbon nanotubes and other anisotropic particles using liquid crystals; adsorption of polycyclic aromatic hydrocarbons (PAHs) and reactive oxygen species (ROSs) on water and ice surfaces; and adsorption of hydrocarbons and dispersants on atmospheric air/salt water interfaces. | |
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 | Voyiadjis, George
Boyd Professor and Chair Department of Civil and Environmental Engineering |
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 | Waldrop, Grover
Professor Department of Biological Sciences |
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225-578-5209 •
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| Dr. Waldrop's laboratory focuses on the catalytic mechanisms of enzymes from a kinetic, chemical and structural perspective. Currently, the laboratory is focusing on two enzymes both of which have medical relevance. One enzyme is acetyl CoA carboxylase, which catalyzes the committed and regulated step in fatty acid synthesis in all animals, plants and bacteria. This enzyme is a target for antibiotics and anti-obesity agents. Acetyl CoA carboxylase is a multifunctional biotin-dependent enzyme and consists of three components: (1) biotin carboxylase, (2) biotin carboxyl carrier protein, which contains the biotin cofactor and (3) carboxyltransferase. The other enzyme under investigation is GDP-mannose 4,6 dehydratase, which catalyzes the first committed step in the biosynthesis of fucose. This enzyme is a target for anti-inflammatory drugs and anti-metastatic agents. To study the catalytic mechanism of these enzymes we use a variety of mechanistic techniques including steady-state and rapid reaction kinetics, inhibitor design, isotope effects and site-directed mutagenesis. Structural analyses are carried out by x-ray crystallography. | |
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 | Wilson, Justin
Assistant Professor, Physics & Astronomy |
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 | Wang, Jianwei
Assistant Professor Department of Geology & Geophysics |
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 | Karki, Bijaya
Professor; McDermott Endowed Professor Chair - Division of Computer Science and Engineering |
| 2130 LDMC
• +1 225 518 3197 •
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 | Lopata, Kenneth
Associate Professor, Department of Chemistry |
| 2050 LDMC
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| Butler, Les
Professor, Department of Chemistry |
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+1 (225) 578-4416 •
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 | Lipton, Robert
S.B. Barton Professor Department of Mathematics |
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+1 225 578 1665 •
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 | Khonsari, Michael
Dow Chemical Endowed Chair and Professor Department of Mechanical Engineering |
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+1 225 578 9192 •
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| Dr Khonsari earned a PhD in Mechanical Engineering from the University of Texas at Austin. At LSU he holds the Dow Chemical Endowed Chair in the Department of Mechanical Engineering where he is also the Director of the Center for Rotating Machinery. His research interests are in friction, lubrication and wear of machinery, machinery performance analysis, numerical analysis and heat transfer. Dr Khonsari serves as the EPSCoR Project Director in Sponsored Programs for the Louisiana Board of Regents. | |
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 | Moldovan, Dorel
Associate Professor Department of Mechanical Engineering |
| 2068 LDMC
• +1 225 578 6488 •
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 | Moreno, Juana
Patricia Hewlett Bodin Distinguished Professor of Physics Professor, Department of Physics & Astronomy |
| 2034 LDMC
• 225-578-7586 •
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 | Hall, Randall
Professor Dominican University of California - Department of Natural Sciences and Mathematics |
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+1 225 578 3472 •
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| Randall Hall is the Dr. Lilliam L.Y. Wang Yin Endowed Professor in Chemistry at Dominican University of California. He also holds an Emeritus Professor position in the Department of Chemistry at LSU and an Adjunct Professor position at the LSU Center for Computation & Technology. He obtained his B.S. from U.C. Berkeley and his Ph.D. for Columbia University. He worked as a postdoctoral associate at the University of Illinois, Urbana-Champaign before joining the faculty at LSU in 1986. | |
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 | Kumar, Revati
Associate Professor Department of Chemistry |
| 2052 LDMC
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| Sauls, James
Hearne Chair in Theoretical Physics Professor, Physics & Astronomy |
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 | Daniels-Race, Theda
Michel B. Voorhies Distinguished Professor Professor, Division of Electrical and Computer Engineering |
| 2164 LDMC
• +12255788912 •
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| Theda Daniels-Race is the Michel B. Voorhies Distinguished Professor in the Division of Electrical and Computer Engineering. She received her PhD from Cornell University, and before joining the LSU faculty, she was responsible for the design and development of Duke University's first molecular beam epitaxy (MBE) laboratory. She is an expert in the expitaxial growth and characterization of compound semiconductor nanostructures. | |
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| Vekhter, Ilya
Associate Professor Department of Physics & Astronomy |
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225-578-0598 •
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 | Kim, Dr. Nayong
Assistant Director Assistant Director |
| 2017 LDMC
• +1 225 578 5486 •
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