Related references
Note: Only part of the references are listed.Chemistry-Informed Machine Learning for Polymer Electrolyte Discovery
Gabriel Bradford et al.
ACS CENTRAL SCIENCE (2023)
Toward autonomous materials research: Recent progress and future challenges
Joseph H. Montoya et al.
APPLIED PHYSICS REVIEWS (2022)
Recent advances and applications of deep learning methods in materials science
Kamal Choudhary et al.
NPJ COMPUTATIONAL MATERIALS (2022)
Phase-Field Simulation and Machine Learning Study of the Effects of Elastic and Plastic Properties of Electrodes and Solid Polymer Electrolytes on the Suppression of Li Dendrite Growth
Yao Ren et al.
ACS APPLIED MATERIALS & INTERFACES (2022)
Automated Design of Li+-Conducting Polymer by Quantum-Inspired Annealing
Kan Hatakeyama-Sato et al.
MACROMOLECULAR RAPID COMMUNICATIONS (2022)
Accelerating amorphous polymer electrolyte screening by learning to reduce errors in molecular dynamics simulated properties
Tian Xie et al.
NATURE COMMUNICATIONS (2022)
Novel inorganic crystal structures predicted using autonomous simulation agents
Weike Ye et al.
SCIENTIFIC DATA (2022)
Decoupling of ion pairing and ion conduction in ultrahigh-concentration electrolytes enables wide-temperature solid-state batteries
Shengjun Xu et al.
ENERGY & ENVIRONMENTAL SCIENCE (2022)
Learning Matter: Materials Design with Machine Learning and Atomistic Simulations
Simon Axelrod et al.
ACCOUNTS OF MATERIALS RESEARCH (2022)
An invertible crystallographic representation for general inverse design of inorganic crystals with targeted properties
Zekun Ren et al.
MATTER (2022)
Improved physics-based structural descriptors of perovskite materials enable higher accuracy of machine learning
Changjiao Li et al.
COMPUTATIONAL MATERIALS SCIENCE (2021)
Perspective-Combining Physics and Machine Learning to Predict Battery Lifetime
Muratahan Aykol et al.
JOURNAL OF THE ELECTROCHEMICAL SOCIETY (2021)
Role of Molecular Architecture on Ion Transport in Ethylene oxide-Based Polymer Electrolytes
Chuting Deng et al.
MACROMOLECULES (2021)
Molecular Dynamics Simulations of Ion-Containing Polymers Using Generic Coarse-Grained Models
Kuan-Hsuan Shen et al.
MACROMOLECULES (2021)
Solid Polymer Electrolytes with High Conductivity and Transference Number of Li Ions for Li-Based Rechargeable Batteries
Yun Zhao et al.
ADVANCED SCIENCE (2021)
Machine learning identified materials descriptors for ferroelectricity
Jingjin He et al.
ACTA MATERIALIA (2021)
Ion Pairing, Clustering and Transport in a LiFSI-TMP Electrolyte as Functions of Salt Concentration using Molecular Dynamics Simulations
Diego E. Galvez-Aranda et al.
JOURNAL OF THE ELECTROCHEMICAL SOCIETY (2021)
Machine Learning Solvation Environments in Conductive Polymers: Application to ProDOT-2Hex with Solvent Swelling
Ioan-Bogdan Magdau et al.
MACROMOLECULES (2021)
Database Creation, Visualization, and Statistical Learning for Polymer Li+-Electrolyte Design
Nicole S. Schauser et al.
CHEMISTRY OF MATERIALS (2021)
Predictive descriptors in machine learning and data-enabled explorations of high-entropy alloys
Ankit Roy et al.
COMPUTATIONAL MATERIALS SCIENCE (2021)
Rational Solid-State Synthesis Routes for Inorganic Materials
Muratahan Aykol et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2021)
Molecular Dynamics and Machine Learning in Catalysts
Wenxiang Liu et al.
CATALYSTS (2021)
Modelling Bulk Electrolytes and Electrolyte Interfaces with Atomistic Machine Learning
Yunqi Shao et al.
BATTERIES & SUPERCAPS (2021)
DScribe: Library of descriptors for machine learning in materials science
Lauri Himanen et al.
COMPUTER PHYSICS COMMUNICATIONS (2020)
Phase prediction in high entropy alloys with a rational selection of materials descriptors and machine learning models
Yan Zhang et al.
ACTA MATERIALIA (2020)
Effect of Chemical Variations in the Structure of Poly(ethylene oxide)-Based Polymers on Lithium Transport in Concentrated Electrolytes
Arthur France-Lanord et al.
CHEMISTRY OF MATERIALS (2020)
Revisiting LiClO4 as an electrolyte for Li-ion battery: Effect of aggregation behavior on ion-pairing dynamics and conductance
Thejus R. Kartha et al.
JOURNAL OF MOLECULAR LIQUIDS (2020)
Diffusion and migration in polymer electrolytes
Youngwoo Choo et al.
PROGRESS IN POLYMER SCIENCE (2020)
The phase stability network of all inorganic materials
Vinay Hegde et al.
SCIENCE ADVANCES (2020)
Toward Designing Highly Conductive Polymer Electrolytes by Machine Learning Assisted Coarse-Grained Molecular Dynamics
Yanming Wang et al.
CHEMISTRY OF MATERIALS (2020)
Comprehensively-upgraded polymer electrolytes by multifunctional aramid nanofibers for stable all-solid-state Li-ion batteries
Lehao Liu et al.
NANO ENERGY (2020)
Comparing ion transport in ionic liquids and polymerized ionic liquids
Wangchuan Xiao et al.
SCIENTIFIC REPORTS (2020)
Big-Data Science in Porous Materials: Materials Genomics and Machine Learning
Kevin Maik Jablonka et al.
CHEMICAL REVIEWS (2020)
Enabling high performance all-solid-state lithium metal batteries using solid polymer electrolytes plasticized with ionic liquid
Matthew D. Widstrom et al.
ELECTROCHIMICA ACTA (2020)
Random forest machine learning models for interpretable X-ray absorption near-edge structure spectrum-property relationships
Steven B. Torrisi et al.
NPJ COMPUTATIONAL MATERIALS (2020)
Machine Learning Force Fields and Coarse-Grained Variables in Molecular Dynamics: Application to Materials and Biological Systems
Paraskevi Gkeka et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2020)
Autonomous molecular design by Monte-Carlo tree search and rapid evaluations using molecular dynamics simulations
Seiji Kajita et al.
COMMUNICATIONS PHYSICS (2020)
Insight into the Ionic Transport of Solid Polymer Electrolytes in Polyether and Polyester Blends
Leire Meabe et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2020)
Effect of Increasing the Descriptor Set on Machine Learning Prediction of Small Molecule-Based Organic Solar Cells
Zhi-Wen Zhao et al.
CHEMISTRY OF MATERIALS (2020)
Evolution of Metastable Structures at Bimetallic Surfaces from Microscopy and Machine-Learning Molecular Dynamics
Jin Soo Lim et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2020)
Design of Polymer Blend Electrolytes through a Machine Learning Approach
Bill K. Wheatle et al.
MACROMOLECULES (2020)
BEEP: A Python library for Battery Evaluation and Early Prediction
Patrick Herring et al.
SOFTWAREX (2020)
Synthesis of Lithium-ion Conducting Polymers Designed by Machine Learning-based Prediction and Screening
Kan Hatakeyama-Sato et al.
CHEMISTRY LETTERS (2019)
Li1.4Al0.4Ti1.6(PO4)3 nanoparticle-reinforced solid polymer electrolytes for all-solid-state lithium batteries
Lehao Liu et al.
SOLID STATE IONICS (2019)
High-Safety All-Solid-State Lithium-Metal Battery with High-Ionic-Conductivity Thermoresponsive Solid Polymer Electrolyte
Jinqiu Zhou et al.
NANO LETTERS (2019)
Polymer Electrolytes for Lithium-Based Batteries: Advances and Prospects
Dong Zhou et al.
CHEM (2019)
Network analysis of synthesizable materials discovery
Muratahan Aykol et al.
NATURE COMMUNICATIONS (2019)
Graph dynamical networks for unsupervised learning of atomic scale dynamics in materials
Tian Xie et al.
NATURE COMMUNICATIONS (2019)
Occurrence of the potent mutagens 2-nitrobenzanthrone and 3-nitrobenzanthrone in fine airborne particles
Aldenor G. Santos et al.
SCIENTIFIC REPORTS (2019)
Accelerated Development of Perovskite-Inspired Materials via High-Throughput Synthesis and Machine-Diagnosis
Shijing Sun et al.
JOULE (2019)
Machine learning in materials science
Jing Wei et al.
INFOMAT (2019)
Decoding the glass genome
John C. Mauro
CURRENT OPINION IN SOLID STATE & MATERIALS SCIENCE (2018)
Effect of Salt Concentration on Properties of Lithium Ion Battery Electrolytes: A Molecular Dynamics Study
Bharath Ravikumar et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2018)
Crystal Graph Convolutional Neural Networks for an Accurate and Interpretable Prediction of Material Properties
Tian Xie et al.
PHYSICAL REVIEW LETTERS (2018)
Toward Predicting Efficiency of Organic Solar Cells via Machine Learning and Improved Descriptors
Harikrishna Sahu et al.
ADVANCED ENERGY MATERIALS (2018)
Mordred: a molecular descriptor calculator
Hirotomo Moriwaki et al.
JOURNAL OF CHEMINFORMATICS (2018)
A strategy to apply machine learning to small datasets in materials science
Ying Zhang et al.
NPJ COMPUTATIONAL MATERIALS (2018)
Statistical variances of diffusional properties from ab initio molecular dynamics simulations
Xingfeng He et al.
NPJ COMPUTATIONAL MATERIALS (2018)
Effect of Salt Concentration on Ion Clustering and Transport in Polymer Solid Electrolytes: A Molecular Dynamics Study of PEO-LiTFSI
Nicola Molinari et al.
CHEMISTRY OF MATERIALS (2018)
Negative Stefan-Maxwell Diffusion Coefficients and Complete Electrochemical Transport Characterization of Homopolymer and Block Copolymer Electrolytes
Irune Villaluenga et al.
JOURNAL OF THE ELECTROCHEMICAL SOCIETY (2018)
Design Rules for Highly Conductive Polymeric Ionic Liquids from Molecular Dynamics Simulations
Yizi Cheng et al.
MACROMOLECULES (2018)
Machine learning for molecular and materials science
Keith T. Butler et al.
NATURE (2018)
Molecular dynamics simulation of polymer-coupled ion transport in the crystalline polymer electrolyte poly(ethylene oxide)(3):NaI
Ramesh Cheerla et al.
POLYMER (2018)
Aliphatic Polycarbonate-Based Solid-State Polymer Electrolytes for Advanced Lithium Batteries: Advances and Perspective
Jianjun Zhang et al.
SMALL (2018)
Development of the PEO Based Solid Polymer Electrolytes for All-Solid State Lithium Ion Batteries
Yu Jiang et al.
POLYMERS (2018)
Can machine learning identify the next high-temperature superconductor? Examining extrapolation performance for materials discovery
Bryce Meredig et al.
MOLECULAR SYSTEMS DESIGN & ENGINEERING (2018)
Enhancing ionic conductivity in composite polymer electrolytes with well-aligned ceramic nanowires
Wei Liu et al.
NATURE ENERGY (2017)
Machine learning of accurate energy-conserving molecular force fields
Stefan Chmiela et al.
SCIENCE ADVANCES (2017)
Single lithium-ion conducting solid polymer electrolytes: advances and perspectives
Heng Zhang et al.
CHEMICAL SOCIETY REVIEWS (2017)
Ion transport in polycarbonate based solid polymer electrolytes: experimental and computational investigations
Bing Sun et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2016)
A solid future for battery development
Juergen Janek et al.
NATURE ENERGY (2016)
All solid-state polymer electrolytes for high-performance lithium ion batteries
Liping Yue et al.
ENERGY STORAGE MATERIALS (2016)
Realization of high performance polycarbonate-based Li polymer batteries
Bing Sun et al.
ELECTROCHEMISTRY COMMUNICATIONS (2015)
Recent Advances in Innovative Polymer Electrolytes based on Poly (ionic liquid)s
Alexander S. Shaplov et al.
ELECTROCHIMICA ACTA (2015)
Chemically Specific Dynamic Bond Percolation Model for Ion Transport in Polymer Electrolytes
Michael A. Webb et al.
MACROMOLECULES (2015)
Effect of Nanoparticles on Ion Transport in Polymer Electrolytes
Santosh Mogurampelly et al.
MACROMOLECULES (2015)
Systematic Computational and Experimental Investigation of Lithium-Ion Transport Mechanisms in Polyester-Based Polymer Electrolytes
Michael A. Webb et al.
ACS CENTRAL SCIENCE (2015)
Mechanism of ion transport in amorphous poly(ethylene oxide)/LiTFSI from molecular dynamics simulations
O Borodin et al.
MACROMOLECULES (2006)
ZINC - A free database of commercially available compounds for virtual screening
JJ Irwin et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2005)
AC complex impedance measurement of comb-like type polyether electrolytes under high-pressure carbon dioxide
GH Kwak et al.
ELECTROCHIMICA ACTA (2003)
Force field development and MD simulations of poly(ethylene oxide)/LiBF4 polymer electrolytes
O Borodin et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2003)
Ionic liquids to the rescue? Overcoming the ionic conductivity limitations of polymer electrolytes
JH Shin et al.
ELECTROCHEMISTRY COMMUNICATIONS (2003)
Ion pair formation and its effect in PEO:Mg solid polymer electrolyte system
MJ Reddy et al.
JOURNAL OF POWER SOURCES (2002)