胡明

2026

壳聚糖/PVA/纳米金刚石复合膜的制备及性能

《塑料》

2026

Artificial intelligence and the frontier of phonon engineering: a perspective on discovering extreme thermal materials

Journal of Materials Science: Materials Theory

DOI

2026

Foundation-Model Surrogates Enable Data-Efficient Active Learning for Materials Discovery

arXiv.org

DOI

2026

Uncertainty-Aware Machine Learning Discovery of Temperature-Induced Solid-Solid Phase Transitions for Thermal Management Applications

Digital Discovery

DOI

2026

Orbital-level engineering of bonding networks to modulate halogen migration in lead-free double perovskites.

Materials Horizons

DOI

2026

Machine Learning Discovery of Record‐Low Lattice Thermal Conductivity in Double Perovskites

Advancement of science

DOI

2026

Visible-Light-Driven Reductive 1,2-Diarylation of Alkenes via O -Tethered Iodoarenes and Cyanopyridines

The Journal of Organic Chemistry

DOI

2026

Photocatalytic Regioselective Four-Component 1,4-Aryl Migration of N -Allylbenzamides To Access β-Arylethylamines

Organic Letters

DOI

2026

Photocatalytic 1,2,3-Trifunctionalization of β,γ-Unsaturated Ketones via 1,2-Carbonyl Migration to Access Functionalized Indanones

Organic Letters

DOI

2026

A General Iron-Photocatalyzed Decarboxylative Arylalkylation of Carboxylic Acids with Activated Alkenes

Organic Letters

DOI

2026

Cross-Dehydrogenative Coupling of Ligated Boranes with Aldehydes for the Direct Synthesis of Acylboranes

Organic Letters

DOI

2026

Convergent paired photocatalyzed hydroarylation of β-alkenyl ketones with cyanoaromatics enabled by radical anion sorting

Organic Chemistry Frontiers

DOI

2025

Revisiting Cobalt Dopability in GeTe System to Design Modulation‐Doped Thermoelectrics

Advanced Functional Materials

DOI

2025

Excellent high-temperature energy storage performance of polymer dielectrics through the synergistic action of conjugation effect inhibition and dipole modulation

Chemical Engineering Journal

DOI

2025

In context learning foundation models for materials property prediction with small datasets

npj Computational Materials

DOI

2025

Database and deep-learning scalability of anharmonic phonon properties by automated brute-force first-principles calculations

npj Computational Materials

DOI

2025

Synthetic applications of electro/photochemical halogen atom transfer (XAT)-driven carbon radical chemistry

Chemical Society Reviews

DOI

2025

Electroreductive 1,4-Hydro(deutero)arylation of 1,3-Enynes Enabled by Terephthalonitrile: Entry to Trisubstituted Allenes

Organic Letters

DOI

2025

Electrochemical Decyanative Carboxylation of Cyanoaromatics with CO2 Leading to Aryl Carboxylic Acids

Organic Letters

DOI

2025

Iron-Catalyzed Three-Component Reactions of Cyclopropanols with Alkenes and N-Heteroarenes via Ring-Opening and C–H Functionalization

The Journal of Organic Chemistry

DOI

2025

Recent Advances in Carbon-Centered Radical-Initiated Olefin Transformation Chemistry

Catalysts

DOI

2025

Palladium‐Catalyzed [3+2+1]/[4+2] Heteroannulation of Allylamines with CO and 1,4‐Enynes Leading to 1,7,8,8a‐Tetrahydroisoquinolin‐3( 2H )‐ones

Chinese Journal of Chemistry

DOI

2025

Silver-Catalyzed Formal [3 + 3] Heteroannulation of Aziridines with 3-Aminoacrylates via Ring-Opening and C–H Amination: Access to 1,4,5,6-Tetrahydropyrazines

Organic Letters

DOI

2025

Photoredox Site-Selective C(sp3)–H Alkylation of 1-(o-Iodoaryl)-alkan-1-ones with Activated Alkenes Enabled by Hydrogen Atom Transfer

Organic Letters

DOI

2025

Palladium-Catalyzed Dearomative para-/ortho-Cycloaddition Cascades of N-Allylanilines with 1,4-Enynes and CO via Skeletal Reorganization

Organic Letters

DOI

2025

A photocatalytic hydrogen atom transfer and aryl migration strategy for the arylalkylation of activated alkenes with 1-( o -iodoaryl)-alkan-1-ones

Organic Chemistry Frontiers

DOI

2025

Photoredox β-C(sp 3 )–H heteroarylation of o -iodoaryl-alkan-1-ones with heteroarenes via HAT and dual C–H functionalizations

Organic Chemistry Frontiers

DOI

2024

Accelerated discovery of extreme lattice thermal conductivity by crystal graph attention networks and chemical bonding

npj Computational Materials

DOI

2024

Correction: Graph theory and graph neural network assisted high-throughput crystal structure prediction and screening for energy conversion and storage

Journal of Materials Chemistry A

DOI

2024

Structure-based out-of-distribution (OOD) materials property prediction: a benchmark study

npj Computational Materials

DOI

2024

Graph theory and graph neural network assisted high-throughput crystal structure prediction and screening for energy conversion and storage

Journal of Materials Chemistry A

DOI

2024

High-throughput thermoelectric materials screening by deep convolutional neural network with fused orbital field matrix and composition descriptors

Applied Physics Reviews

DOI

2024

Divergent Synthesis of (E)- and (Z)-Alkenones via Photoredox C(sp3)–H Alkenylation–Dehydrogenation of o-Iodoarylalkanols with Alkynes

Organic Letters

DOI

2024

Photoreductive 1,4-Dicarbofunctionalization of 1,3-Enynes with Organoiodides and Cyanoarenes via Halogen-Atom Transfer

Organic Letters

DOI

2024

Divergent [2 + n] Heteroannulation of β-CF3-1,3-enynes with Alkyl Azides via Hydrogen Atom Transfer and Radical Substitution

Organic Letters

DOI

2024

Iodoarene-directed photoredox β-C(sp 3 )–H arylation of 1-( o -iodoaryl)alkan-1-ones with cyanoarenes via halogen atom transfer and hydrogen atom transfer

Chemical Science

DOI

2024

Copper-catalyzed oxidative dehydrogenative [3 + 2] annulation of oximes with α-amino ketones: entry to 3-aminopyrroles

Organic Chemistry Frontiers

DOI

2023

Screening outstanding mechanical properties and low lattice thermal conductivity using global attention graph neural network

Energy and AI

DOI

2023

High-throughput computational discovery of 3218 ultralow thermal conductivity and dynamically stable materials by dual machine learning models

Journal of Materials Chemistry A

DOI

2023

Unlocking phonon properties of a large and diverse set of cubic crystals by indirect bottom-up machine learning approach

Communications Materials

DOI

2023

Author Correction: Physics guided deep learning for generative design of crystal materials with symmetry constraints

npj Computational Materials

DOI

2023

Million-scale data integrated deep neural network for phonon properties of heuslers spanning the periodic table

npj Computational Materials

DOI

2023

Anti-Bonding Mediated Record Low and Comparable-to-Air Lattice Thermal Conductivity of Two Metallic Crystals

Journal of Materials Chemistry C

DOI

2023

Electroreductive Carboxylation of Propargylic Acetates with CO2: Access to Tetrasubstituted 2,3-Allenoates

Organic Letters

DOI

2023

Nickel‐catalyzed umpolung C S radical reductive cross coupling of S‐(trifluoromethyl)arylsulfonothioates with alkyl halides

Chinese Chemical Letters

DOI

2023

Electrophotocatalytic Reductive 1, 2‐Diarylation of Alkenes with Aryl Halides and Cyanoaromatics

Chinese Journal of Chemistry

DOI

2022

壳聚糖/PVA/石墨烯改性纳米TiO2复合膜的制备及性能

《塑料工业》

2022

Predicting Lattice Vibrational Frequencies Using Deep Graph Neural Networks

ACS Omega

DOI

2022

Physics guided deep learning for generative design of crystal materials with symmetry constraints

npj Computational Materials

DOI

2022

High-throughput computational evaluation of lattice thermal conductivity using an optimized Slack model

Materials Advances

DOI

2022

Genetic programming-based learning of carbon interatomic potential for materials discovery

arXiv.org

DOI

2022

Large scale dataset of real space electronic charge density of cubic inorganic materials from density functional theory (DFT) calculations

Scientific Data

DOI

2022

Efficiently searching extreme mechanical properties via boundless objective-free exploration and minimal first-principles calculations

npj Computational Materials

DOI

2022

Machine Learning Accelerated Discovery of Promising Thermal Energy Storage Materials with High Heat Capacity.

ACS Applied Materials and Interfaces

DOI

2021

Electronic charge density as a fast approach for predicting Li-ion migration pathways in superionic conductors with first-principles level precision

DOI

2020

Lattice Thermal Conductivity Prediction Using Symbolic Regression and Machine Learning.

Journal of Physical Chemistry A

DOI

2020

Machine Learning based prediction of noncentrosymmetric crystal materials

Computational materials science

DOI

2020

Evaluating explorative prediction power of machine learning algorithms for materials discovery using k-fold forward cross-validation

Computational materials science

DOI

2020

Predicting Elastic Properties of Materials from Electronic Charge Density Using 3D Deep Convolutional Neural Networks

Journal of Physical Chemistry C

DOI

2019

Generative adversarial networks (GAN) based efficient sampling of chemical composition space for inverse design of inorganic materials

npj Computational Materials

DOI

2016

Anisotropic thermal transport in Weyl semimetal TaAs: a first principles calculation.

Physical Chemistry, Chemical Physics - PCCP

DOI

Four-Phonon Scattering E ff ect and Two-Channel Thermal Transport in Two-Dimensional Paraelectric SnSe

2025

Machine Learning-Guided Discovery of Temperature-Induced Solid-Solid Phase Transitions in Inorganic Materials

arXiv preprint

2023

Real-time spectroscopic monitoring of continuous synthesis of zinc oxide nanostructures in femtosecond laser fabricated 3D microfluidic microchannels with integrated on-chip fiber probe array

arXiv preprint

2023

Efficient synthesis of Vitamin D3 in a 3D ultraviolet photochemical microreactor fabricated using an ultrafast laser

arXiv preprint

2022

3D large-scale fused silica microfluidic chips enabled by hybrid laser microfabrication for continuous-flow UV photochemical synthesis

arXiv preprint

DOI