Computational Macromolecular Lab

 

 
 
 
Current Group Members

 

  • Aaron Masur, --Ph.D. student

  • Kimberly Griswold --Ph.D. student

  • Jesse Ziebarth -Ph.D. student; worked on separation of macromolecules and now working on gene delivery vectors

  • Ziqi Li, -Ph.D. student (visiting) from Changchun Institute of Applied Chemistry, Chinese Academy of Science under Prof. Lijia An, working on transport of stars through nanopores

  • Yajie Li (visiting student), from Pittsburgh, working on simulation of DNA and polymer separation

  • Kaixu Song (postdoc), working on simulation of transport with lattice-Boltzmann method

  • Yutian Zhu (postdoc)

  • Bhumin Patel (undergraduate), working on simulation for molecular recognition

  • Keith Hardin (undergraduate), working on simulation for gelation mechanism of PLA-PEO-PLA. This gel will be used in gene therapy

Former group members and affiliates

Graduate students and postdoc

  • Qiang Lin, M.S. in Chemistry, May 2001, thesis title: chromatographic and computational studies of a mixed bimodal polymer solution with confined geometry. Currently working in Center of Genetic Medicine Research, Children’s National Medical Center as an Application Analyst.

  • Yingchuan Gong, M.S. in Chemistry, May 2002, thesis title: experimental and computational studies of polymer partitioning, currently a Ph.D. graduate student at Vanderbilt University

  • Shu Lu, M.S. student, Sept 2002-May 2003, transferred to Prof. Basti

  • Wenhua Jiang, Ph.D. Dec. 2006. Thesis Title: Thermodynamics and transport of polymers in a confined geometry. Currently a senior scientist in Corning Inc. in the simulation and modeling group

  • Dr. Xiaohua Hu, postdoctoral research associate, Jan 2004-August 2006, worked on molecular dynamic simulations of Ntrc and HIV-protease;

  • Dr. Jianhua Huang, visiting professor, worked on simulation of transport through smart nanofluidic channel, now is an Associate Professor at ZheJiang University of Science and Technology

  • Sarah Miller, Ph.D. student, Nov 2006 -July 2007, worked on simulation f hydrodynamic chromatography, transferred to University of New Orleans

Undergraduate students worked in the lab

  • Shawn Austin, undergraduate in chemical engineering,worked on computer simulation of polymer partitioning into pores during spring 1998.

  • Felecia Martin, B.S. in chemical engineering, worked on computer simulations of polymer partitioning during spring and fall of 1998.

  • Nikki McCray, B.S. in chemical engineering, worked on computer simulations of polymer partitioning during fall 1998.

  • Rhoda McCoy, B.S. in chemistry, worked on modeling of HIV protease during spring 2003.

  • Derek Howard,  B.S. in electrical engineering, performed undergraduate research in Spring 2001-Spring 2003. He was a co-author on a referred paper published in Polymer 2004, also presented his research in Sigma Xi National Meeting. now a graduate student in electrical engineering at North Carolina State University.

  • Scott Orelli, REU student from Thiel College, summer of 2004. Project worked on: Computational investigation of the critical condiiton used in the liquid chromatography separation of polymers. Graduated with B.S. in chemistry from Thiel College in May 2005. He was co-authors on two peered reviewed journal articles and he presented research at regional APS meeting.

  • Shazia Khan, undergraduate student, worked in summer 2004 to spring 2005. Project worked on: Influence of chain architecture on the polymer characterization by liquid chromatography at critical condition.  Graduated from University of Memphis with B.S. in chemistry in May 2005. She was co-author on a peer reviewed journal article in Macromolecules.

  • Alexander Vaughn, REU student from University of Alabama at Birmingham, summer 2006. Project worked on: Modeling DNA separation in microfluidic Device. Expected to graduate with B.S. in chemistry in May 2008. He presented his research at the regional ACS meeting in Nov 2006.

  • Jennifer Williams, REU student, summer 2006, Project worked on: Selective adsorption of heteropolymers on heterogeneous surfaces, Jennifer is an REU student from NorthWest Missouri State University, graduated with B.S. in chemistry in May 2007. She presented her research at the regional ACS meeting in Nov 2006.