Itemized Services

• Windows PC
  • OS reinstallation and configuration
  • Network Shared/IP Printer installation
  • Email clients(Outlook, Thunderbird, Foxmail) configuration
  • Set up secure Shared Folder
  • Windows OS, MS-Office installation CDs checkout
  • Help Faculty/Staff install their purchased software from UNL IS
  • UNL NSave auto-backup Setup and configuration
  • Add PC to unl.edu domain and manage them using group policy with Active Directory
• Mac
  • OS reinstallation and configuration
  • Apps(Office for Mac, Acrobat Pro, XCode) installation and configuration
  • Email Client(Mail, Thunderbird) configuration
  • Expand Display to external monitor/projector
  • Remote desktop connection to/from Windows, Mac and Linux via screen sharing
• Linux
  • OS reinstallation and configuration
  • Apps(Open Office, Driver) installation and configuration
  • Email Client(Thunderbird) configuration
  • Remote desktop connection to/from Windows, Mac and Linux via VNC
  • Bewoulf Linux cluster setup and configuration
  • Compilation and installation of compilers(new version of gcc, intel, pgi)
  • Compilation and installation of MPI platform(MPICH, MPICH2, HPMPI, Intel MPI, OpenMPI)
  • Compilation and installation of Computational Chemistry packages(Gaussian, GAMESS, Material Studios, VASP, CP2K, NWCHEM, SIESTA, QUANTUM ESPRESSO, GROMACS, LAMMPS, DL_POLY, etc.)
  • High Performance Computing User Trainning for Holland Computing Center
• Computer hardware check and repair
  • Check and replace computer parts (Power Supply, CPU, meomry, hard disk, graphic card and motherboard)
  • Request RMA for computer parts under warranty
  • Check and order proper monitors, printers and computer parts
• Web Server Maintenance
  • Web Server OS upgrade, backup
  • Apache web server configuration
  • Design and update web pages
• Other Services
  • Monitoring network card registration
  • Site license administration for ChemBioDraw
  • Video conferencing equipment setup

Biography

Dr. Jun Wang received his Ph.D. from University of Nebraska-Lincoln in 2010. Since then he worked as a high performance computing applications specialist in Holland Computing Center at University of Nebraska-Lincoln.

During his Ph.D. he investigated thermodynamics properties (melting point, surface tension) of Lennard-Jones model, Stockmeyer model and water models by means of classical molecular dynamics simulations under Prof. Zeng's supervision.

In the meantime he was also assigned to manage Linux clusters for Prof. Zeng, Prof. Li and Prof. Powers

He joined Chemistry Department of UNL as the new IT specialist in Feb. 2013

He was raised in Nanjing, China. He received his Master of Engineering (M.E) degree in Chemical Engineering from Nanjing University of Technology, Nanjing, China in 2004.

Research

My research experience can be traced back to my master program in China, in which I spent four years studying and performing classical molecular dynamics (MD) simulation to investigate confined water in carbon nanotubes. After I was hired by UNL, my research method was still MD simulation technique. However, I was gradually trained to modify available MD source codes or write own MD program(mostly in FORTRAN) to complete the assigned projects because sometimes either the investigated properties can not be obtained without modifying the source codes or the investigated subjects can not be implemented with the available MD packages. Therefore my major research activity involves a lot of coding work and debugging the modified or written MD program. For example, by modifying the source codes of DL_POLY package, I was able to perform MD simulation under NPH ensemble (which is not available in original DL_POLY package) to calculate the melting points of two water models. By writing a special PBS script I was able to automatically restart a new calculation with incremental heating/cooling to determine the liquid-solid surface tension of silicon and water. In particular the work of Stockmayer model was completely implemented with my own MD codes, which involves complicated coding for Ewald sum technique, solution of rotational equations of motion for linear molecules and various methods of temperature control and pressure control. Currently I am still interested in studying biological ion channels and carbon nanotube based channels/membranes by means of MD simulation.

Publications

1.  J. Theo. Comput. Chem. 2009, 4, 733

Computer simulation of liquid-vapor interfacial tension: Lennard-Jones fluid and water revisited.
J. Wang and X. C. Zeng

2.  J. Chem. Theory Comput. 2007, 3, 1494

Solid-liquid interfacial free energy of water: a molecular dynamics study
J. Wang , Y. W. Tang and X. C. Zeng

3.  Proc. Natl. Acad. Sci. U.S.A. 2007, 103, 19664

Multiwalled ice helixes and ice nanotubes.
J. Bai, J. Wang and X. C. Zeng

4.  J. Chem. Phys 2006, 124, 236103

Molecular simulations of solid-liquid interfacial tension of silicon.
Y. W. Tang, J. Wang and X. C. Zeng

5. J. Phys. Chem. B . 2006, 110, 25761

Molecular dynamics simulation study of the structural characteristics of water molecules confined in functionalized carbon nanotubes.
L. L. Huang, L. Z. Zhang, Q. Shao, J. Wang , L. H. Lu, X. H. Lu, S. Y. Jiang and W. F. Shen

6. Phys. Chem. Chem. Phys. . 2006, 8, 3836

Helicity and temperature effects on static properties of water molecules confined in modified carbon nanotubes.
L. L. Huang, Q. Shao, L. H. Lu, X. H. Lu, L. Z. Zhang, J. Wang and S.Y. Jiang

7. J. Chem. Phys. . 2005, 123, 036101

Melting temperature of ice Ih calculated from coexisting solid-liquid phases.
J. Wang , S. H. Yoo, J. Bai, J. R. Morris and X. C. Zeng

8. Phys. Chem. Chem. Phys. . 2004, 6, 829

Diameter and helicity effects on static properties of water molecules confined in carbon nanotubes.
J. Wang , Y. Zhu, J. Zhou and X. H. Lu

9. Acta Chim. Sinica . 2003, 61, 1891

Molecular Dynamics Study of Water Molecules Confined in Carbon Nanotubes with Different Helicity.
J. Wang , Y. Zhu, J. Zhou and X. H. Lu

Awards & Honors

2008-2009 Research Assistant Award of Chemistry Department at UNL

2006-2007 Teaching Assistant Award of Chemistry Department at UNL

High Performance Computing workshop

Workshop 1: May 8, 2013 (Wednesday) at 3:00pm in HaH 548