Application of Artificial Neural Networks for Catalysis: A Review

Predictive Power of Machine Learning for Optimizing Solar Water Heater Performance: The Potential Application of High-Throughput Screening

(2017) Hao Li et al.   INTERNATIONAL JOURNAL OF PHOTOENERGY

Neural network potentials for dynamics and thermodynamics of gold nanoparticles

(2017) Siva Chiriki et al.   JOURNAL OF CHEMICAL PHYSICS

Modeling Segregation on AuPd(111) Surfaces with Density Functional Theory and Monte Carlo Simulations

(2017) Jacob R. Boes et al.   Journal of Physical Chemistry C

Neural network predictions of oxygen interactions on a dynamic Pd surface

(2017) Jacob R. Boes et al.   MOLECULAR SIMULATION

Design of high-performance water-in-glass evacuated tube solar water heaters by a high-throughput screening based on machine learning: A combined modeling and experimental study

(2017) Zhijian Liu et al.   SOLAR ENERGY

Scaling Relations for Adsorption Energies on Doped Molybdenum Phosphide Surfaces

(2017) Meredith Fields et al.   ACS Catalysis

Machine-Learning Methods Enable Exhaustive Searches for Active Bimetallic Facets and Reveal Active Site Motifs for CO2 Reduction

(2017) Zachary W. Ulissi et al.   ACS Catalysis

Quick Estimation Model for the Concentration of Indoor Airborne Culturable Bacteria: An Application of Machine Learning

(2017) Zhijian Liu et al.   International Journal of Environmental Research and Public Health

Amp : A modular approach to machine learning in atomistic simulations

(2016) Alireza Khorshidi et al.   COMPUTER PHYSICS COMMUNICATIONS

Neural network and ReaxFF comparison for Au properties

(2016) Jacob R. Boes et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Ensemble-Average Representation of Pt Clusters in Conditions of Catalysis Accessed through GPU Accelerated Deep Neural Network Fitting Global Optimization

(2016) Huanchen Zhai et al.   Journal of Chemical Theory and Computation

Machine-learning-assisted materials discovery using failed experiments

(2016) Paul Raccuglia et al.   NATURE

Neural network molecular dynamics simulations of solid–liquid interfaces: water at low-index copper surfaces

(2016) Suresh Kondati Natarajan et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Comparative Study on Theoretical and Machine Learning Methods for Acquiring Compressed Liquid Densities of 1,1,1,2,3,3,3-Heptafluoropropane (R227ea) via Song and Mason Equation, Support Vector Machine, and Artificial Neural Networks

(2016) Hao Li et al.   Applied Sciences-Basel

Extreme learning machine: a new alternative for measuring heat collection rate and heat loss coefficient of water-in-glass evacuated tube solar water heaters

(2016) Zhijian Liu et al.   SpringerPlus

Machine Learning in Medicine

(2015) R. C. Deo   CIRCULATION

FireWorks: a dynamic workflow system designed for high-throughput applications

(2015) Anubhav Jain et al.   CONCURRENCY AND COMPUTATION-PRACTICE & EXPERIENCE

User-friendly optimization approach of fed-batch fermentation conditions for the production of iturin A using artificial neural networks and support vector machine

(2015) Fudi Chen et al.   ELECTRONIC JOURNAL OF BIOTECHNOLOGY

Novel Method for Measuring the Heat Collection Rate and Heat Loss Coefficient of Water-in-Glass Evacuated Tube Solar Water Heaters Based on Artificial Neural Networks and Support Vector Machine

(2015) Zhijian Liu et al.   Energies

Prediction of building energy consumption using an improved real coded genetic algorithm based least squares support vector machine approach

(2015) Hyun Chul Jung et al.   ENERGY AND BUILDINGS

Constructing high-dimensional neural network potentials: A tutorial review

(2015) Jörg Behler   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Machine-Learning-Augmented Chemisorption Model for CO2 Electroreduction Catalyst Screening

(2015) Xianfeng Ma et al.   Journal of Physical Chemistry Letters

Global minimization of gold clusters by combining neural network potentials and the basin-hopping method

(2015) Runhai Ouyang et al.   Nanoscale

Trends in extreme learning machines: A review

(2015) Gao Huang et al.   NEURAL NETWORKS

Deep learning in neural networks: An overview

(2015) Jürgen Schmidhuber   NEURAL NETWORKS

Modeling and optimization of bioethanol production from breadfruit starch hydrolyzate vis-à-vis response surface methodology and artificial neural network

(2015) Eriola Betiku et al.   RENEWABLE ENERGY

Comparison of response surface methodology and artificial neural network approach towards efficient ultrasound-assisted biodiesel production from muskmelon oil

(2015) J. Prakash Maran et al.   ULTRASONICS SONOCHEMISTRY

Artificial Neural Networks-Based Software for Measuring Heat Collection Rate and Heat Loss Coefficient of Water-in-Glass Evacuated Tube Solar Water Heaters

(2015) Zhijian Liu et al.   PLoS One

Selective Hydrogen Production from Formic Acid Decomposition on Pd–Au Bimetallic Surfaces

(2014) Wen-Yueh Yu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Optimisation of alkene epoxidation catalysed by polymer supported Mo(VI) complexes and application of artificial neural network for the prediction of catalytic performances

(2013) Misbahu Ladan Mohammed et al.   APPLIED CATALYSIS A-GENERAL

Optimization of oleic acid esterification catalyzed by ionic liquid for green biodiesel synthesis

(2013) Ahmad Hafiidz Mohammad Fauzi et al.   ENERGY CONVERSION AND MANAGEMENT

Optimization of base-catalyzed ethanolysis of sunflower oil by regression and artificial neural network models

(2013) Olivera S. Stamenković et al.   FUEL PROCESSING TECHNOLOGY

Thermal modeling of gas engine driven air to water heat pump systems in heating mode using genetic algorithm and Artificial Neural Network methods

(2013) Sepehr Sanaye et al.   INTERNATIONAL JOURNAL OF REFRIGERATION-REVUE INTERNATIONALE DU FROID

Machine learning in cell biology – teaching computers to recognize phenotypes

(2013) Christoph Sommer et al.   JOURNAL OF CELL SCIENCE

A Density-Functional Theory-Based Neural Network Potential for Water Clusters Including van der Waals Corrections

(2013) Tobias Morawietz et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Transesterification of waste cooking oil by heteropoly acid (HPA) catalyst: Optimization and kinetic model

(2012) Amin Talebian-Kiakalaieh et al.   APPLIED ENERGY

Optimization of ultrasound-assisted base-catalyzed methanolysis of sunflower oil using response surface and artifical neural network methodologies

(2012) Katarina M. Rajković et al.   CHEMICAL ENGINEERING JOURNAL

Artificial Neural Networks, Optimization and Kinetic Modeling of Amoxicillin Degradation in Photo-Fenton Process Using Aluminum Pillared Montmorillonite-Supported Ferrioxalate Catalyst

(2012) O. B. Ayodele et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Photocatalytic (UV-A/TiO2) degradation of 17α-ethynylestradiol in environmental matrices: Experimental studies and artificial neural network modeling

(2012) Zacharias Frontistis et al.   JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY

High-dimensional neural network potentials for metal surfaces: A prototype study for copper

(2012) Nongnuch Artrith et al.   PHYSICAL REVIEW B

Neural network Analysis of Selective CO Oxidation over Copper-Based Catalysts for Knowledge Extraction from Published Data in the Literature

(2011) M. Erdem Günay et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Neural network potential-energy surfaces in chemistry: a tool for large-scale simulations

(2011) Jörg Behler   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Finding Nature’s Missing Ternary Oxide Compounds Using Machine Learning and Density Functional Theory

(2010) Geoffroy Hautier et al.   CHEMISTRY OF MATERIALS

Machine Learning in Medical Imaging

(2010) Miles Wernick et al.   IEEE SIGNAL PROCESSING MAGAZINE

Structure and activity relationship for CO and O2 adsorption over gold nanoparticles using density functional theory and artificial neural networks

(2010) Tuğba Davran-Candan et al.   JOURNAL OF CHEMICAL PHYSICS

A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

(2010) Stefan Grimme et al.   JOURNAL OF CHEMICAL PHYSICS

Fast Prediction of Selectivity in Heterogeneous Catalysis from Extended Brønsted-Evans-Polanyi Relations: A Theoretical Insight

(2009) David Loffreda et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Application of Artificial Neural Network for Yield Prediction of Lipase-Catalyzed Synthesis of Dioctyl Adipate

(2009) Mohd Basyaruddin Abdul Rahman et al.   APPLIED BIOCHEMISTRY AND BIOTECHNOLOGY

Alloys of platinum and early transition metals as oxygen reduction electrocatalysts

(2009) J. Greeley et al.   Nature Chemistry

Scaling Relationships for Adsorption Energies on Transition Metal Oxide, Sulfide, and Nitride Surfaces

(2008) Eva M. Fernández et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Trends in the Catalytic CO Oxidation Activity of Nanoparticles

(2008) Hanne Falsig et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Modeling and Optimization of Heterogeneous Photo-Fenton Process with Response Surface Methodology and Artificial Neural Networks

(2008) M. B. Kasiri et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Optimal design approach for the plate-fin heat exchangers using neural networks cooperated with genetic algorithms

(2007) Hao Peng et al.   APPLIED THERMAL ENGINEERING