Graphics processing unit

Anderson, J.A., Lorenz, C.D., Travesset, A. General purpose molecular dynamics simulations fully implemented on graphics processing units. J. Comput. Phys. 2008, 227, 5342-59. 

Eastman, P., Pande, V.S. Efficient nonbonded interactions for molecular dynamics on a graphics processing unit. J. Comput. Chem. 2010, 31,1268-72. 

Keywords quantum chemistry density functional theory Hartree-Fock theory Moller Plesset perturbation theory quantum Monte Carlo graphics processing units CUDA NVIDIA ATI accelerator... 

Ufimtsev, I.S., Martinez, T.J. Quantum chemistry on graphical processing units. 1. Strategies for two-electron integral evaluation. J. Chem. Theory Comput. 2008, 4(2), 222-31. 

Anderson, A.G., Goddard, W.A., III, Schroder, P. Quantum Monte Carlo on graphical processing units. Comput. Phys. Commun. 2007,177(3), 298-306. 

Typical applications of this category include graphic processing unit (GPU) like... 

Keywords 2.5-D Integration, stacked memory, CPU, graphics processing unit (GPU), DRAM, mixed-signal, image sensor, radar-in-cube. 

Friedrichs, M. S., et al.. Accelerating molecular dynamic simulation on graphics processing units./. Comput Chem., 2009. 30[6), 864-872. 

Sisto A, Glowacki DR, Martinez TJ. Ab initio nonadiabatic dynamics of multichromo-phore complexes a Scalable graphical-processing-unit-accelerated exciton framework. Acc Chem Res. 2014 47(9) 2857—2866. http //dx.doi.org/10.1021/ar500229p. Dresselhaus T, NeugebauerJ. Part and whole in wavefimction/DFT embedding. Theor Chem Acc. 2015 134(8) 97. http //dx.doi.org/10.1007/s00214-015-1697-4. 

Finally, we believe that Thread-Level Parallelism (TLP) is one of the next trends in computer architecture and therefore have started implementing a Graphic Processing Units (GPU) based on Compute Unified Device Architecture (CUBA). We are plaiming on expanding software-based and hybrid techniques to protect such systems in the presence of faults. 

Ming, D., 2014. A parallel attainable region construction method suitable for implementation on a graphics processing unit (GPU). Comput. Chem. Eng. 67, 103-120. 

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