Machine learning and the physical sciences
Machine learning (ML) encompasses a broad range of algorithms and modeling tools used
for a vast array of data processing tasks, which has entered most scientific disciplines in …
for a vast array of data processing tasks, which has entered most scientific disciplines in …
First principles neural network potentials for reactive simulations of large molecular and condensed systems
J Behler - Angewandte Chemie International Edition, 2017 - Wiley Online Library
Modern simulation techniques have reached a level of maturity which allows a wide range of
problems in chemistry and materials science to be addressed. Unfortunately, the application …
problems in chemistry and materials science to be addressed. Unfortunately, the application …
Machine learning assisted design of high entropy alloys with desired property
We formulate a materials design strategy combining a machine learning (ML) surrogate
model with experimental design algorithms to search for high entropy alloys (HEAs) with …
model with experimental design algorithms to search for high entropy alloys (HEAs) with …
Unveiling the predictive power of static structure in glassy systems
Despite decades of theoretical studies, the nature of the glass transition remains elusive and
debated, while the existence of structural predictors of its dynamics is a major open …
debated, while the existence of structural predictors of its dynamics is a major open …
Engineered disorder in photonics
Disorder, which qualitatively describes some measure of irregularities in spatial patterns, is
ubiquitous in many-body systems, equilibrium and non-equilibrium states of matter, network …
ubiquitous in many-body systems, equilibrium and non-equilibrium states of matter, network …
New frontiers for the materials genome initiative
Abstract The Materials Genome Initiative (MGI) advanced a new paradigm for materials
discovery and design, namely that the pace of new materials deployment could be …
discovery and design, namely that the pace of new materials deployment could be …
Dynamic relaxations and relaxation-property relationships in metallic glasses
WH Wang - Progress in Materials Science, 2019 - Elsevier
Dynamic relaxation is an intrinsic and universal feature of glasses and enables fluctuation
and dissipation to occur, which induces plentiful behaviour, maintains equilibrium, and …
and dissipation to occur, which induces plentiful behaviour, maintains equilibrium, and …
Deformation and flow of amorphous solids: Insights from elastoplastic models
The deformation and flow of disordered solids, such as metallic glasses and concentrated
emulsions, involves swift localized rearrangements of particles that induce a long-range …
emulsions, involves swift localized rearrangements of particles that induce a long-range …
Modern computational studies of the glass transition
L Berthier, DR Reichman - Nature Reviews Physics, 2023 - nature.com
The physics of the glass transition and amorphous materials continues to attract the attention
of a wide research community after decades of effort. Supercooled liquids and glasses have …
of a wide research community after decades of effort. Supercooled liquids and glasses have …
A structural approach to relaxation in glassy liquids
In contrast with crystallization, there is no noticeable structural change at the glass transition.
Characteristic features of glassy dynamics that appear below an onset temperature, T 0 …
Characteristic features of glassy dynamics that appear below an onset temperature, T 0 …