463 citations · 2.3k across the 58 of their papers we have counts for
3 papers · 1 filter
Modulation of Nearly Free Electron States in Hydroxyl-Functionalized MXenes: A First-Principles Study
Jiaqi Zhou, Mohammad Khazaei, Ahmad Ranjbar +5
The transition metal carbides (namely MXenes) and their functionalized derivatives exhibit various physical and chemical characteristics and offer many potential applications in el…
Accurate Sampling with Noisy Forces from Approximate Computing
Varadarajan Rengaraj, Michael Lass, Christian Plessl +1
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 th…
Artificial Neural Networks as Trial Wave Functions for Quantum Monte Carlo
Jan Kessler, Francesco Calcavecchia, Thomas D. Kühne
Inspired by the universal approximation theorem and widespread adoption of artificial neural network techniques in a diversity of fields, we propose feed-forward neural networks as…