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PetaChem, LLCGPU-Accelerated Software for Quantum Chemistry and Ab Initio Molecular Dynamics
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GPU-Accelerated Software for Quantum Chemistry and Ab Initio Molecular Dynamics
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GPU-Accelerated Software for Quantum Chemistry and Ab Initio Molecular Dynamics
store.petachem.com
Industry/Government Single License | PetaChem, LLC
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Chemistry at the Speed of Graphics. TeraChem Industry/Government - Node-Locked License for 1 Node.
Products | PetaChem, LLC
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Chemistry at the Speed of Graphics.
Academic Single License | PetaChem, LLC
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Chemistry at the Speed of Graphics. TeraChem Academic License - Node-Locked for 1 Node.
Academic Multi-License Pack | PetaChem, LLC
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Chemistry at the Speed of Graphics. 3 ( $400.00). 4 ( $1,800.00). 5 ( $1,950.00). 6 ( $3,100.00). 7 ( $4,250.00). 8 ( $5,400.00). Multi-License Pack of TeraChem Academic.
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PetaChem
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The latest version of TeraChem was compiled and tested under 64-bit RedHat Enterprise Linux 6.5 operating system running on Intel Core2 quad-core and Intel Xeon 5520 dual quad-core CPU machines. An Nvidia compute capability 2.0 (Tesla C2050 or similar) or higher (i.e. Tesla K40 or similar) graphics card is required to run the program. Please refer to the CUDA Programming Guide. Because the binary file is linked against the Intel MKL library, it is recommended to run TeraChem on Intel-based workstations.
PetaChem
http://www.petachem.com/publications.html
The algorithms behind TeraChem have been documented in a series of literature articles. We encourage you to browse these (institutional access will be required). Scroll down for a list of publications using TeraChem. Automated Code Engine for Graphical Processing Units: Application to the Effective Core Potential Integrals and Gradients. C Song, L.-P. Wang and T. J. Martinez. Journal of Chemical Theory and Computation, Vol 12, 92-106 (2016). Journal of Chemical Physics, Vol 143, 154107 (2015). Quantum Ch...
PetaChem
http://www.petachem.com/pricing.html
Request price quote at sales@petachem.com. Purchase at our online store. 1 machine is one motherboard with up to 16 CPU cores (up to dual socket) and 8 GPUs. All licenses come with 6 months of E-mail based support (including free upgrades). TeraChem requires a 64-bit CPU with 64-bit Linux operating system and at least 1 NVIDIA GPU with at least CUDA 2.0 compute capability (Fermi). PetaChem, LLC recommends Intel Xeon series CPUs, CentOS 6.0 or later, and NVIDIA Kepler and Maxwell GPUs.
PetaChem
http://www.petachem.com/accuracy.html
Comparison of energy during optimization for Ala. Using GAMESS and TeraChem. Both curves folow each other closely, demonstrating that the accuracy achieved by TeraChem is sufficient for geometry optimization problems. Final geometries are compared in the inset (TeraChem in full color and CPU-optimized in gold). RHF/6-31G calculations of Caffeine. Two-electron integral cutoff: 10. TeraChem, double precision on Tesla C2050. GAMESS, double precision. PetaChem, LLC 2009-2012.
About PetaChem
http://www.petachem.com/about.html
PetaChem, LLC was founded in 2009 to promote the use of graphics processors (GPUs) for electronic structure theory and first principles molecular dynamics. Our flagship product is TeraChem, which was released in May, 2010 and is now at version 1.5. For a fully functional, free 30-day TeraChem trial version reach us here! Los Altos Hills, CA 94022. PetaChem, LLC 2009-2016.
PetaChem
http://www.petachem.com/news.html
May 25, 2016: TeraChem v1.9 will be released on June 15, 2016. New features include:. Polarizable Continuum Solvation with COSMO. Time-Dependent Density Functional Theory. Accelerated dynamics with virtual spherical piston. Ab Initio Steered Molecular Dynamics for Modeling External Force (Mechanochemistry). Easy combination of multiple basis sets. Polarizabilities for closed shell HF and DFT. Support for Fermi, Kepler, and Maxwell cards. All licensees are entitled to a free upgrade!
PetaChem
http://www.petachem.com/demo.html
Visualization of highest occupied molecular orbital in a high temperature ab initio molecular dynamics simulation of C. See a series of videos about TeraChem on YouTube! We welcome requests for a trial version of TeraChem! Contact us at help@petachem.com. PetaChem, LLC 2009-2016.
PetaChem
http://www.petachem.com/index.html
PetaChem, LLC is devoted to enabling quantum chemistry and first principles dynamics for molecular materials and biological molecules. Our focus is speed and we achieve this through redesign of modern algorithms for stream processors like the CUDA enabled GPU architectures from NVIDIA. Charge transfer upon solvation of BPTI. Ab initio molecular dynamics simulation (1ps) performed in hours using TeraChem on a desktop. Don't have GPUs yet and still want to try TeraChem? Register for free GPU Test Drive.
PetaChem
http://www.petachem.com/products.html
TeraChem is general purpose quantum chemistry software designed to run on NVIDIA GPU architectures under a 64-bit Linux operating system. Some of TeraChem features include:. Full support for NVIDIA GeForce/Tesla GPUs (GT200, Fermi, and Kepler). Restricted, unrestricted, and restricted open shell Hartree-Fock and grid-based Kohn-Sham energy and gradient calculations. Full support of s, p and d-type basis functions. Static and dynamical DFT grids. Empirical dispersion correction (DFT-D3 and DFT-D2). See Ta...
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PetaChem, LLC
Chemistry at the Speed of Graphics. Are you ready to accelerate your research? Accelerating Quantum Chemistry and Ab Initio Molecular Dynamics.
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