Machine learning force fields

OT Unke, S Chmiela, HE Sauceda… - Chemical …, 2021 - ACS Publications
In recent years, the use of machine learning (ML) in computational chemistry has enabled
numerous advances previously out of reach due to the computational complexity of …

Flat optics with designer metasurfaces

N Yu, F Capasso - Nature materials, 2014 - nature.com
Conventional optical components such as lenses, waveplates and holograms rely on light
propagation over distances much larger than the wavelength to shape wavefronts. In this …

Rethinking graph transformers with spectral attention

D Kreuzer, D Beaini, W Hamilton… - Advances in …, 2021 - proceedings.neurips.cc
In recent years, the Transformer architecture has proven to be very successful in sequence
processing, but its application to other data structures, such as graphs, has remained limited …

Neural fields in visual computing and beyond

Y **e, T Takikawa, S Saito, O Litany… - Computer Graphics …, 2022 - Wiley Online Library
Recent advances in machine learning have led to increased interest in solving visual
computing problems using methods that employ coordinate‐based neural networks. These …

Bone remodeling: an operational process ensuring survival and bone mechanical competence

S Bolamperti, I Villa, A Rubinacci - Bone Research, 2022 - nature.com
Bone remodeling replaces old and damaged bone with new bone through a sequence of
cellular events occurring on the same surface without any change in bone shape. It was …

[BOOK][B] Dynamic mode decomposition: data-driven modeling of complex systems

The integration of data and scientific computation is driving a paradigm shift across the
engineering, natural, and physical sciences. Indeed, there exists an unprecedented …

Ultralight scalars as cosmological dark matter

L Hui, JP Ostriker, S Tremaine, E Witten - Physical Review D, 2017 - APS
Many aspects of the large-scale structure of the Universe can be described successfully
using cosmological models in which 27±1% of the critical mass-energy density consists of …

AI Feynman: A physics-inspired method for symbolic regression

SM Udrescu, M Tegmark - Science Advances, 2020 - science.org
A core challenge for both physics and artificial intelligence (AI) is symbolic regression:
finding a symbolic expression that matches data from an unknown function. Although this …

[HTML][HTML] Artificial molecular machines

S Erbas-Cakmak, DA Leigh, CT McTernan… - Chemical …, 2015 - ACS Publications
The widespread use of molecular machines in biology has long suggested that great
rewards could come from bridging the gap between synthetic molecular systems and the …

From DFT to machine learning: recent approaches to materials science–a review

GR Schleder, ACM Padilha, CM Acosta… - Journal of Physics …, 2019 - iopscience.iop.org
Recent advances in experimental and computational methods are increasing the quantity
and complexity of generated data. This massive amount of raw data needs to be stored and …