Accurate Sampling with Noisy Forces from Approximate Computing

Varadarajan Rengaraj, Michael Lass, Christian Plessl, Thomas D. Kühne
2020 Computation  
In scientific computing, the acceleration of atomistic computer simulations by means of custom hardware is finding ever-growing application. A major limitation, however, is that the high efficiency in terms of performance and low power consumption entails the massive usage of low precision computing units. Here, based on the approximate computing paradigm, we present an algorithmic method to compensate for numerical inaccuracies due to low accuracy arithmetic operations rigorously, yet still
more » ... aining exact expectation values using a properly modified Langevin-type equation.
doi:10.3390/computation8020039 fatcat:xtg3duhk55eibiia7zs4dkx22e