![]() ![]() ![]() GaussView is a graphical user interface (GUI) designed to be used with Gaussian to make calculation preparation and output analysis easier, quicker and more efficient. Gaussian & GaussView Gaussian is a general purpose electronic structure package for use in computational chemistry. Engagement projects with faculty members on campus Conduct own research on Comp Chem DFT theory and concept Systems in biological and material science Introduction to GaussianĪbout You Name, department, group, interest? Any experience before with Gaussian or GaussView? What do you expect to use them? What kind of systems? Introduction to Gaussian from Chemistry, UNC-CH Currently Senior Computational UNC ITS Research Computing Division Responsibilities: Support Comp Chem/Phys/Material Science software, Support Programming (FORTRAN/C/C++) tools, code porting, parallel computing, etc. Pre-requisites Basic UNIX knowledge Introduction to Scientific Computing An account on Emerald Introduction to GaussianĪbout Myself Ph.D. Agenda Introduction Capabilities Input File Preparation Gaussian GUI – GaussView Run G03 UNC-CH Some Advanced Topics Hands-on Experiments Introduction to Gaussian Introduction to Gaussian & GaussViewĬourse Goal What Gaussian/GaussView packages are How to prepare input files via GaussView How to run G03 jobs on UNC-CH servers How to view G03 results Learn selected advanced topics Hands-on experiments Introduction to Gaussian Renaissance Computing Institute University of North Carolina at Chapel Hill Introduction to Gaussian & GaussView Research Computing, ITS, UNC-CH Introduction to Gaussian and GaussView Shubin Liu, Ph.D. ![]()
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