Phys Chem Chem Phys
November 2024
Performing molecular dynamics simulations with the TIP4P/2005 water model along 9 isobars (from 175 to 375 bar) in the temperature range between 300 and 1100 K, we have found that the loci of the extrema in the rate of change of specific structural properties can be used to define purely structure-based Widom lines. We have examined several parameters that describe the local structure of water, such as the tetrahedral arrangement, nearest neighbor distance, local density around the molecules, and the size of the largest dense domain. The last two parameters were determined using the Voronoi polyhedral and density-based spatial clustering of applications with noise methods, respectively.
View Article and Find Full Text PDFWe propose a sparse computation method for optimizing the inference of neural networks in reinforcement learning (RL) tasks. Motivated by the processing abilities of the brain, this method combines simple neural network pruning with a delta-network algorithm to account for the input data correlations. The former mimics neuroplasticity by eliminating inefficient connections; the latter makes it possible to update neuron states only when their changes exceed a certain threshold.
View Article and Find Full Text PDFQuantum mechanics increasingly penetrates modern technologies but, due to its non-deterministic nature seemingly contradicting our classical everyday world, our comprehension often stays elusive. Arguing along the correspondence principle, classical mechanics is often seen as a theory for large systems where quantum coherence is completely averaged out. Surprisingly, it is still possible to reconstruct the coherent dynamics of a quantum bit (qubit) by using a classical model system.
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