Accurate fourth-generation machine learning potentials by electrostatic embedding
In recent years, significant progress has been made in the development of machine learning
potentials (MLPs) for atomistic simulations with applications in many fields from chemistry to …
potentials (MLPs) for atomistic simulations with applications in many fields from chemistry to …
High-surface-area functionalized nanolaminated membranes for energy-efficient nanofiltration and desalination in forward osmosis
Stacking two-dimensional nanosheets into laminar membranes to create nanochannels has
attracted widespread attention at both fundamental and practical levels in separation …
attracted widespread attention at both fundamental and practical levels in separation …
Computational Study on Filament Growth Dynamics in Microstructure-Controlled Storage Media of Resistive Switching Memories
P Xu, W Fa, S Chen - ACS nano, 2023 - ACS Publications
The filament growth processes, crucial to the performance of nanodevices like resistive
switching memories, have been widely investigated to realize the device optimization. With …
switching memories, have been widely investigated to realize the device optimization. With …
Comprehensive characterization of the structure of Zr-based metallic glasses
Abstract Structure of metallic glasses fascinates as the generic amorphous structural
template for ubiquitous systems. Its specification necessitates determination of the complete …
template for ubiquitous systems. Its specification necessitates determination of the complete …
Boron nitride and molybdenum disulfide as 2D composite element selectors with flexible threshold switching
Y Sun, D Wen, F Sun - Journal of Alloys and Compounds, 2021 - Elsevier
Abstract 2D composite nanomaterials of insulating boron nitride (BN) and semiconductor
molybdenum disulfide (MoS 2)-based flexible threshold switching selectors (Ag/BN+ MoS …
molybdenum disulfide (MoS 2)-based flexible threshold switching selectors (Ag/BN+ MoS …
Density functional simulations of a conductive bridging random access memory cell: Ag filament formation in amorphous
Density functional/molecular dynamics simulations have been performed to shed light on the
drift of Ag atoms in an amorphous Ge S 2 solid-state electrolyte between Ag and Pt …
drift of Ag atoms in an amorphous Ge S 2 solid-state electrolyte between Ag and Pt …
Development of a Generally Applicable Machine Learning Potential with Accurate Long-Range Electrostatic Interactions
TW Ko - 2022 - ediss.uni-goettingen.de
Abstract Machine learning potentials (MLPs) have become an indispensable tool for large-
scale atomistic simulations, due to their accuracy comparable with ab-initio methods at …
scale atomistic simulations, due to their accuracy comparable with ab-initio methods at …