Name Laboratory for Molecular Simulation (LMS)
Program Area Chemistry
Room # 2109 Building CHEM
Director Hall, Michael B.
Manager Pérez, Lisa M.
Website Phone # 979.845.9384

The Laboratory for Molecular Simulation (LMS) brings molecular modeling and computational chemistry closer to the experimental scientist by offering training and assistance for both beginning and advanced modeling. Sophisticated modeling software is available to use mathematical methods to calculate the properties of individual molecules, polymers, surfaces, solids, and liquids. The LMS also provides the hardware, software and training necessary for professors that wish to incorporate molecular modeling and computational chemistry into their classes.


ˇ1 18 SGI O2 Computers

ˇ2 12-Processor SGI Power Challenge

ˇ3 2 4-Processor Origin 2000

ˇ4 16-Processor Cray J90

ˇ5 ACCELRYS Software (Cerius2, Insight II, Quanta, Materials Studio)

ˇ6 CHARMm Software

ˇ7 Dalton Software

ˇ8 Gaussian 98 Software

ˇ9 GAUSSRATE Software

ˇ10 Gauss View Software

ˇ11 Grasp Software

ˇ12 MacroModel Software

ˇ13 Molden Software

ˇ14 MOLPRO Software

ˇ15 MULTILEVEL Software

ˇ16 POLYRATE Software

ˇ17 Q-Chem Software

ˇ18 Spock Software

ˇ19 TINKER Software


LMS Lab (Front View) LMS Lab (Rear View)