Artificial intelligence enhanced molecular simulations

J Zhang, D Chen, Y Xia, YP Huang, X Lin… - Journal of Chemical …, 2023 - ACS Publications
Molecular simulations, which simulate the motions of particles according to fundamental
laws of physics, have been applied to a wide range of fields from physics and materials …

A comprehensive review of convolutional neural networks for defect detection in industrial applications

R Khanam, M Hussain, R Hill, P Allen - IEEE Access, 2024 - ieeexplore.ieee.org
Quality inspection and defect detection remain critical challenges across diverse industrial
applications. Driven by advancements in Deep Learning, Convolutional Neural Networks …

Jax md: a framework for differentiable physics

S Schoenholz, ED Cubuk - Advances in Neural Information …, 2020 - proceedings.neurips.cc
We introduce JAX MD, a software package for performing differentiable physics simulations
with a focus on molecular dynamics. JAX MD includes a number of statistical physics …

JAX, MD A framework for differentiable physics

SS Schoenholz, ED Cubuk - Journal of Statistical Mechanics …, 2021 - iopscience.iop.org
We introduce JAX MD, a software package for performing differentiable physics simulations
with a focus on molecular dynamics. JAX MD includes a number of physics simulation …

Molecular dynamics simulations on cloud computing and machine learning platforms

P Sharma, V Jadhao - 2021 IEEE 14th International …, 2021 - ieeexplore.ieee.org
Scientific computing applications have benefited greatly from high performance computing
infrastructure such as supercomputers. However, we are seeing a paradigm shift in the …

[HTML][HTML] Sustainable Machine Vision for Industry 4.0: A Comprehensive Review of Convolutional Neural Networks and Hardware Accelerators in Computer Vision

M Hussain - AI, 2024 - mdpi.com
As manifestations of Industry 4.0. become visible across various applications, one key and
opportune area of development are quality inspection processes and defect detection. Over …

Probing Accuracy-Speedup Tradeoff in Machine Learning Surrogates for Molecular Dynamics Simulations

F Sun, JCS Kadupitiya, V Jadhao - Journal of Chemical Theory …, 2023 - ACS Publications
The performance promise of machine learning surrogates of molecular dynamics
simulations of soft materials is significant but generally comes at the cost of acquiring large …