Citation Impact
Citing Papers
Perspective: Machine learning potentials for atomistic simulations
2016
Rapid and automated design of two-component protein nanomaterials using ProteinMPNN
2024 StandoutNobel
Interface chemistry of conductive crystalline porous thin films
2023 StandoutNobel
Machine Learning in Materials Chemistry: An Invitation
2022
On-the-fly machine-learning for high-throughput experiments: search for rare-earth-free permanent magnets
2014
A Transfer Learning Approach for Microstructure Reconstruction and Structure-property Predictions
2018
The role of artificial intelligence in healthcare: a structured literature review
2021 Standout
LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales
2021 Standout
A general-purpose machine learning framework for predicting properties of inorganic materials
2016
Die Chemie verformbarer poröser Kristalle – Strukturdynamik und Gasadsorptionseigenschaften
2020 StandoutNobel
Chemistry of Soft Porous Crystals: Structural Dynamics and Gas Adsorption Properties
2020 StandoutNobel
Multistate and functional protein design using RoseTTAFold sequence space diffusion
2024 StandoutNobel
Flavoprotein monooxygenases, a diverse class of oxidative biocatalysts
2006
QM/MM Methods for Biomolecular Systems
2009 Standout
Optimisation of GaN LEDs and the reduction of efficiency droop using active machine learning
2016
Strategies for improving the sustainability of structural metals
2019 StandoutNature
Big Data of Materials Science: Critical Role of the Descriptor
2015
Machine Learning Strategy for Accelerated Design of Polymer Dielectrics
2016
Adaptive Strategies for Materials Design using Uncertainties
2016
Machine Learning Energies of 2 Million Elpasolite( A B C 2 D 6 )
2016
Machine learning for molecular and materials science
2018 StandoutNature
Crystal Graph Convolutional Neural Networks for an Accurate and Interpretable Prediction of Material Properties
2018 Standout
Enzymatic functionalization of carbon–hydrogen bonds
2010 StandoutNobel
Protein sequence design by deep learning
2022
Sparks of function by de novo protein design
2024
Rational design of all organic polymer dielectrics
2014
Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals
2019
Reactive species in advanced oxidation processes: Formation, identification and reaction mechanism
2020 Standout
Learning structure-property relationship in crystalline materials: A study of lanthanide–transition metal alloys
2018
Perspective: Materials informatics and big data: Realization of the “fourth paradigm” of science in materials science
2016 Standout
Adaptive machine learning framework to accelerate ab initio molecular dynamics
2014
Concepts of Artificial Intelligence for Computer-Assisted Drug Discovery
2019
Machine Learning and Statistical Analysis for Materials Science: Stability and Transferability of Fingerprint Descriptors and Chemical Insights
2017
Artificial intelligence in drug discovery and development
2020 Standout
Heat transfer and air movement in the ventilated air gap of passive solar heating systems with regulation of the heat supply
2015
Machine learning reveals orbital interaction in materials
2017
Materials discovery and design using machine learning
2017
Fulfilling the promise of the materials genome initiative with high-throughput experimental methodologies
2017
Predicting the Thermodynamic Stability of Solids Combining Density Functional Theory and Machine Learning
2017
Predicting glass transition temperatures using neural networks
2018
An innovative Trombe wall as a passive heating system for a building in Athens—A comparison with the conventional Trombe wall and the insulated wall
2016
What Is High-Throughput Virtual Screening? A Perspective from Organic Materials Discovery
2015
Stratified construction of neural network based interatomic models for multicomponent materials
2017
Representation of compounds for machine-learning prediction of physical properties
2017
Accurate force field for molybdenum by machine learning large materials data
2017
Crystal structure representations for machine learning models of formation energies
2015
Machine-Learning-Assisted Accurate Band Gap Predictions of Functionalized MXene
2018
Prediction model of band gap for inorganic compounds by combination of density functional theory calculations and machine learning techniques
2016
Predicting the stability of ternary intermetallics with density functional theory and machine learning
2018
A data fusion approach to optimize compositional stability of halide perovskites
2021 StandoutNobel
Machine learning the quantum-chemical properties of metal–organic frameworks for accelerated materials discovery
2021
Ensemble Prediction Algorithm of Anomaly Monitoring Based on Big Data Analysis Platform of Open‐Pit Mine Slope
2018 Standout
A review of the current work potential of a trombe wall
2020 Standout
Recent advances and applications of machine learning in solid-state materials science
2019 Standout
Digital Reticular Chemistry
2020 StandoutNobel
Recent Progress on Ferroelectric Polymer-Based Nanocomposites for High Energy Density Capacitors: Synthesis, Dielectric Properties, and Future Aspects
2016 Standout
ChatGPT Research Group for Optimizing the Crystallinity of MOFs and COFs
2023 StandoutNobel
Comparing molecules and solids across structural and alchemical space
2016
Concluding remarks: current and next generation MOFs
2021 StandoutNobel
Ionic Conduction Mechanism and Design of Metal–Organic Framework Based Quasi-Solid-State Electrolytes
2022 StandoutNobel
Machine Learning and Energy Minimization Approaches for Crystal Structure Predictions: A Review and New Horizons
2018
Atomistic calculations and materials informatics: A review
2016
Computational strategies for polymer dielectrics design
2014
The TensorMol-0.1 model chemistry: a neural network augmented with long-range physics
2018
Group-theoretical high-order rotational invariants for structural representations: Application to linearized machine learning interatomic potential
2019
Machine-Learning-Accelerated Perovskite Crystallization
2020
Applications of 2D MXenes in energy conversion and storage systems
2018 Standout
Organocatalytic Reduction of Carbon−Carbon Double Bonds in Racemization-Sensitive Compounds
2011 StandoutNobel
From Organized High-Throughput Data to Phenomenological Theory using Machine Learning: The Example of Dielectric Breakdown
2016
Data-driven prediction of battery cycle life before capacity degradation
2019 Standout
Machine learning properties of binary wurtzite superlattices
2018
Field measurement and numerical simulation of combined solar heating operation modes for domestic buildings based on the Qinghai–Tibetan plateau case
2018
Discovery of blue singlet exciton fission molecules via a high-throughput virtual screening and experimental approach
2019 StandoutNobel
Research on Big Data Digging of Hot Topics about Recycled Water Use on Micro-Blog Based on Particle Swarm Optimization
2018 Standout
Predicting the Mechanical Properties of Zeolite Frameworks by Machine Learning
2017
Recent advances in electrocatalysts for halogenated organic pollutant degradation
2019
Machine-learning-accelerated high-throughput materials screening: Discovery of novel quaternary Heusler compounds
2018
Multi-fidelity machine learning models for accurate bandgap predictions of solids
2016
A review on the application of Trombe wall system in buildings
2016
Accurate interatomic force fields via machine learning with covariant kernels
2017
System of sequences in multivariate reticular structures
2022 StandoutNobel
A review on macro-encapsulated phase change material for building envelope applications
2018 Standout
Mechanical properties and deformation mechanisms of gradient nanostructured metals and alloys
2020 Standout
Experimental investigations on the performance of a collector–storage wall system using phase change materials
2015
Works of Chenchen Wang being referenced
Accelerating materials property predictions using machine learning
2013
Crystallization and X-ray diffraction properties of Baeyer–Villiger monooxygenase MtmOIV from the mithramycin biosynthetic pathway inStreptomyces argillaceus
2005
Rotamer-free protein sequence design based on deep learning and self-consistency
2022
Mechanism of Cobalamin-Mediated Reductive Dehalogenation of Chloroethylenes
2017
Three-dimensional simulation on the thermal performance of a novel Trombe wall with venetian blind structure
2014