Silver reaction chemistry scheme
High Performance Research Computing's Laboratory for Molecular Simulation (LMS) is Texas A&M University's core user facility for molecular modeling. It is supported by user contributions and by the Office of the Vice President for Research, College of Arts & Sciences, College of Engineering/TEES, and College of Agriculture & Life Sciences. The mission of the LMS is to bring molecular modeling closer to the experimental scientist by offering training to both new and advanced users. Cutting edge molecular modeling software is available through the LMS to perform quantum calculations on "small" molecular or solid systems and molecular mechanics/dynamics modeling for large systems such as proteins, DNA, nanomolecules, polymers, solids, and liquids. The LMS is also committed to expanding the incorporation of molecular modeling into TAMU university undergraduate and graduate courses by providing support for faculty that wish to incorporate molecular modeling into their course material.
LMS Subscription Services

Pricing

LMS subscription rates (FY25) for TAMU researchers

$500   ST1 PI + 1 Researcher
$1000 ST2 PI + 1 Researcher
$1500 ST3 PI + 1 Researcher
$2000 ST4 PI + 1 Researcher
$65/hour Consulting Fee for non-subscribers and additional hours for subscribers

LMS Subscription details (pdf)

Software and Training

The LMS provides commercial and open-source software solutions and the training required to utilize the software.

Commercial Software: Gaussian, GaussView with GMMX add-on, Materials Studio, Discovery Studio, Schrödinger, MOE, MedeA, ADF, ADF-GUI, AIMALL, NBO

Hardware

The LMS has hardware solution to fit your computational research needs.

Register for an account on the LMS MM Cluster

Register for an account on the HPRC systems that host LMS software

Consulting Services

The LMS provides consulting services in the areas of molecular modeling and computational chemistry.

Workshops and Short Courses
All Workshops and Short Courses are offered through High Performance Research Computing: hprc.tamu.edu/training

Texas A&M University
Henderson Hall
College Station, TX 77843-3361

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Phone: 1-979-458-8414