4.7 Article

Machine Learning Solvation Environments in Conductive Polymers: Application to ProDOT-2Hex with Solvent Swelling

相关参考文献

注意:仅列出部分参考文献,下载原文获取全部文献信息。
Article Chemistry, Physical

FCHL revisited: Faster and more accurate quantum machine learning

Anders S. Christensen et al.

JOURNAL OF CHEMICAL PHYSICS (2020)

Article Chemistry, Physical

Machine Learning-Guided Approach for Studying Solvation Environments

Yasemin Basdogan et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2020)

Article Chemistry, Medicinal

Solvent-Specific Featurization for Predicting Free Energies of Solvation through Machine Learning

Samuel T. Hutchinson et al.

JOURNAL OF CHEMICAL INFORMATION AND MODELING (2019)

Article Chemistry, Physical

Using Machine Learning to Predict Enthalpy of Solvation

Brandon J. Jaquis et al.

JOURNAL OF SOLUTION CHEMISTRY (2019)

Article Chemistry, Physical

Atom-density representations for machine learning

Michael J. Willatt et al.

JOURNAL OF CHEMICAL PHYSICS (2019)

Article Chemistry, Physical

Regression Clustering for Improved Accuracy and Training Costs with Molecular-Orbital-Based Machine Learning

Lixue Cheng et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2019)

Article Chemistry, Multidisciplinary

Delfos: deep learning model for prediction of solvation free energies in generic organic solvents

Hyuntae Lim et al.

CHEMICAL SCIENCE (2019)

Article Chemistry, Physical

Transferability in Machine Learning for Electronic Structure via the Molecular Orbital Basis

Matthew Welborn et al.

JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2018)

Article Chemistry, Physical

1.14*CM1A-LBCC: Localized Bond-Charge Corrected CM1A Charges for Condensed-Phase Simulations

Leela S. Dodda et al.

JOURNAL OF PHYSICAL CHEMISTRY B (2017)

Article Biochemistry & Molecular Biology

LigParGen web server: an automatic OPLS-AA parameter generator for organic ligands

Leela S. Dodda et al.

NUCLEIC ACIDS RESEARCH (2017)

Review Chemistry, Multidisciplinary

Material and Structural Design of Novel Binder Systems for High-Energy, High-Power Lithium-Ion Batteries

Ye Shi et al.

ACCOUNTS OF CHEMICAL RESEARCH (2017)

Article Nanoscience & Nanotechnology

Conducting Block Copolymer Binders for Carbon-Free Hybrid Vanadium Pentoxide Cathodes with Enhanced Performance

Hyosung An et al.

ACS APPLIED MATERIALS & INTERFACES (2016)

Article Chemistry, Physical

Comparing molecules and solids across structural and alchemical space

Sandip De et al.

PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2016)

Review Chemistry, Applied

Computer Simulations of Ion Transport in Polymer Electrolyte Membranes

Santosh Mogurampelly et al.

ANNUAL REVIEW OF CHEMICAL AND BIOMOLECULAR ENGINEERING, VOL 7 (2016)

Review Chemistry, Physical

All solid-state polymer electrolytes for high-performance lithium ion batteries

Liping Yue et al.

ENERGY STORAGE MATERIALS (2016)

Article Electrochemistry

PEDOT: PSS as a Functional Binder for Cathodes in Lithium Ion Batteries

Pratik R. Das et al.

JOURNAL OF THE ELECTROCHEMICAL SOCIETY (2015)

Article Polymer Science

Effect of Nanoparticles on Ion Transport in Polymer Electrolytes

Santosh Mogurampelly et al.

MACROMOLECULES (2015)

Article Chemistry, Physical

Effects of ionic liquids on cation dynamics in amorphous polyethylene oxide electrolytes

Joyjit Chattoraj et al.

JOURNAL OF CHEMICAL PHYSICS (2014)

Article Materials Science, Multidisciplinary

How to represent crystal structures for machine learning: Towards fast prediction of electronic properties

K. T. Schuett et al.

PHYSICAL REVIEW B (2014)

Article Chemistry, Multidisciplinary

Classification study of solvation free energies of organic molecules using machine learning techniques

N. S. Hari Narayana Moorthy et al.

RSC ADVANCES (2014)

Article Chemistry, Multidisciplinary

Toward an Ideal Polymer Binder Design for High-Capacity Battery Anodes

Mingyan Wu et al.

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2013)

Article Polymer Science

Allyl Glycidyl Ether-Based Polymer Electrolytes for Room Temperature Lithium Batteries

Katherine P. Barteau et al.

MACROMOLECULES (2013)

Article Materials Science, Multidisciplinary

On representing chemical environments

Albert P. Bartok et al.

PHYSICAL REVIEW B (2013)

Article Polymer Science

Mechanisms Underlying Ionic Mobilities in Nanocomposite Polymer Electrolytes

Ben Hanson et al.

ACS MACRO LETTERS (2013)

Article Chemistry, Multidisciplinary

Simultaneous Electronic and Ionic Conduction in a Block Copolymer: Application in Lithium Battery Electrodes

Anna E. Javier et al.

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2011)

Article Chemistry, Physical

Molecular dynamics simulation of the polymer electrolyte poly(ethylene oxide)/LiClO4.: II.: Dynamical properties

Leonardo J. A. Siqueira et al.

JOURNAL OF CHEMICAL PHYSICS (2006)

Article Multidisciplinary Sciences

Potential energy functions for atomic-level simulations of water and organic and biomolecular systems

WL Jorgensen et al.

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2005)

Article Chemistry, Physical

Mechanisms of lithium transport in amorphous polyethylene oxide

YH Duan et al.

JOURNAL OF CHEMICAL PHYSICS (2005)