AIMC Topic: Electrons

Clear Filters Showing 11 to 20 of 56 articles

Machine Learning Diffusion Monte Carlo Energies.

Journal of chemical theory and computation Nov 1, 2022
We present two machine learning methodologies that are capable of predicting diffusion Monte Carlo (DMC) energies with small data sets (≈60 DMC calculations in total). The first uses voxel deep neural networks (VDNNs) to predict DMC energy densities ...
Neural Networks, Computer Machine Learning Diffusion Electrons Monte Carlo Method
View on PubMed DOI

New venues in electron density analysis.

Physical chemistry chemical physics : PCCP Sep 21, 2022
We provide a comprehensive overview of the chemical information from electron density: not only how to extract information, but also how to obtain and how to assess the quality of the electron density itself. After introducing several indexes derived...
Machine Learning Electrons
View on PubMed DOI

Direct mapping from PET coincidence data to proton-dose and positron activity using a deep learning approach.

Physics in medicine and biology Sep 15, 2022
. Obtaining the intrinsic dose distributions in particle therapy is a challenging problem that needs to be addressed by imaging algorithms to take advantage of secondary particle detectors. In this work, we investigate the utility of deep learning me...
Humans Deep Learning Electrons Positron-Emission Tomography Monte Carlo Method Phantoms, Imaging Proton Therapy Protons
View on PubMed DOI

Volumetric macromolecule identification in cryo-electron tomograms using capsule networks.

BMC bioinformatics Aug 30, 2022
BACKGROUND: Despite recent advances in cellular cryo-electron tomography (CET), developing automated tools for macromolecule identification in submolecular resolution remains challenging due to the lack of annotated data and high structural complexit...
Neural Networks, Computer Electrons Macromolecular Substances Probability Electron Microscope Tomography
View on PubMed DOI

Rapidly predicting Kohn-Sham total energy using data-centric AI.

Scientific reports Aug 24, 2022
Predicting material properties by solving the Kohn-Sham (KS) equation, which is the basis of modern computational approaches to electronic structures, has provided significant improvements in materials sciences. Despite its contributions, both DFT an...
Artificial Intelligence Electrons
View on PubMed DOI

MemBrain: A deep learning-aided pipeline for detection of membrane proteins in Cryo-electron tomograms.

Computer methods and programs in biomedicine Jul 1, 2022
BACKGROUND AND OBJECTIVE: Cryo-electron tomography (cryo-ET) is an imaging technique that enables 3D visualization of the native cellular environment at sub-nanometer resolution, providing unpreceded insights into the molecular organization of cells....
Deep Learning Image Processing, Computer-Assisted Membrane Proteins Electrons Cryoelectron Microscopy Electron Microscope Tomography
View on PubMed DOI

Deep learning-based in vivo dose verification from proton-induced secondary-electron-bremsstrahlung images with various count level.

Physica medica : PM : an international journal devoted to the applications of physics to medicine and biology : official journal of the Italian Association of Biomedical Physics (AIFB) Jun 9, 2022
PURPOSE: Proton-induced secondary-electron-bremsstrahlung (SEB) imaging is a promising method for estimating the ranges of particle beam. However, SEB images do not directly represent dose distributions of particle beams. In addition, the ranges esti...
Deep Learning Electrons Monte Carlo Method Proton Therapy Protons
View on PubMed DOI

Observing Noncovalent Interactions in Experimental Electron Density for Macromolecular Systems: A Novel Perspective for Protein-Ligand Interaction Research.

Journal of chemical information and modeling Mar 29, 2022
We report for the first time the use of experimental electron density (ED) in the Protein Data Bank for modeling of noncovalent interactions (NCIs) for protein-ligand complexes. Our methodology is based on reduced electron density gradient (RDG) theo...
Artificial Intelligence Databases, Protein Electrons Macromolecular Substances Ligands
View on PubMed DOI

Automatic quantification and classification of microplastics in scanning electron micrographs via deep learning.

The Science of the total environment Feb 19, 2022
Microplastics quantification and classification are demanding jobs to monitor microplastic pollution and evaluate the potential health risks. In this paper, microplastics from daily supplies in diverse chemical compositions and shapes are imaged by s...
Deep Learning Plastics Microplastics Electrons Microscopy
View on PubMed DOI

Site-Specific Regulated Memristors via Electron-Beam-Induced Functionalization of HfO.

Small (Weinheim an der Bergstrasse, Germany) Dec 9, 2021
Emerging nonvolatile resistive switching, also known as the memristor, works with a distinct concept that relies mainly on the change in the composition of the active materials, rather than to store the charge. Particularly for oxide-based memristors...
Neural Networks, Computer Artificial Intelligence Electrons Synapses
View on PubMed DOI
Popular Topics
Recent Journals