Designing High-Refractive Index Polymers Using Materials Informatics

ANI-1: an extensible neural network potential with DFT accuracy at force field computational cost

(2017) J. S. Smith et al.   Chemical Science

Rewritable three-dimensional holographic data storage via optical forces

(2016) Ali K. Yetisen et al.   APPLIED PHYSICS LETTERS

Computer-aided molecular design of imidazole-based absorbents for CO 2 capture

(2016) Vishwesh Venkatraman et al.   International Journal of Greenhouse Gas Control

Quantitative structure-property relationship modelling of thermal decomposition temperatures of ionic liquids

(2016) Vishwesh Venkatraman et al.   JOURNAL OF MOLECULAR LIQUIDS

KRAKENX: software for the generation of alignment-independent 3D descriptors

(2016) Vishwesh Venkatraman et al.   JOURNAL OF MOLECULAR MODELING

Polymer Optical Constants from Long-Range Corrected DFT Calculations

(2016) Shintaro Maekawa et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Poly(phenylene thioether)s with Fluorene-Based Cardo Structure toward High Transparency, High Refractive Index, and Low Birefringence

(2016) Kazuhiro Nakabayashi et al.   MACROMOLECULES

Optically transparent high temperature shape memory polymers

(2016) Xinli Xiao et al.   Soft Matter

QSPR studies on refractive indices of structurally heterogeneous polymers

(2015) Pablo R. Duchowicz et al.   CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS

A quantitative structure-property relationship study of the photovoltaic performance of phenothiazine dyes

(2015) Vishwesh Venkatraman et al.   DYES AND PIGMENTS

Nitro-substituted polyamides: A new class of transparent and highly refractive materials

(2015) Ali Javadi et al.   EUROPEAN POLYMER JOURNAL

Recent Progress in High Refractive Index Polymers

(2015) Tomoya Higashihara et al.   MACROMOLECULES

Effective graded refractive-index anti-reflection coating for high refractive-index polymer ophthalmic lenses

(2015) Ki-Chul Kim   MATERIALS LETTERS

Artificial evolution of coumarin dyes for dye sensitized solar cells

(2015) Vishwesh Venkatraman et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Evolutionary de novo design of phenothiazine derivatives for dye-sensitized solar cells

(2015) Vishwesh Venkatraman et al.   Journal of Materials Chemistry A

Automated Design of Realistic Organometallic Molecules from Fragments

(2014) Marco Foscato et al.   Journal of Chemical Information and Modeling

Automated Building of Organometallic Complexes from 3D Fragments

(2014) Marco Foscato et al.   Journal of Chemical Information and Modeling

Optimal descriptors as a tool to predict the thermal decomposition of polymers

(2014) Alla P. Toropova et al.   JOURNAL OF MATHEMATICAL CHEMISTRY

In silico Design of Porous Polymer Networks: High-Throughput Screening for Methane Storage Materials

(2014) Richard L. Martin et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Computational strategies for polymer dielectrics design

(2014) C.C. Wang et al.   POLYMER

Intrinsic high refractive index polymers

(2014) Emily K. Macdonald et al.   POLYMER INTERNATIONAL

Rational design of all organic polymer dielectrics

(2014) Vinit Sharma et al.   Nature Communications

Quantitative structure-property relationship modeling of Grätzel solar cell dyes

(2013) Vishwesh Venkatraman et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Designing Polymers for Photovoltaic Applications Using ab Initio Calculations

(2013) Nicolas Bérubé et al.   Journal of Physical Chemistry C

Mining data with random forests: current options for real-world applications

(2013) Andreas Ziegler et al.   Wiley Interdisciplinary Reviews-Data Mining and Knowledge Discovery

Polymer thin films for antireflection coatings

(2013) Xiao Li et al.   Journal of Materials Chemistry C

Quantitative Structure–Property Relationship Modeling of Diverse Materials Properties

(2012) Tu Le et al.   CHEMICAL REVIEWS

Lattice Enumeration for Inverse Molecular Design Using the Signature Descriptor

(2012) Shawn Martin   Journal of Chemical Information and Modeling

A Spectroscopic and DFT Study of the Electronic Properties of Carbazole-Based D–A Type Copolymers

(2012) Matthew E. Reish et al.   Journal of Physical Chemistry C

An Evolutionary Algorithm for de Novo Optimization of Functional Transition Metal Compounds

(2012) Yunhan Chu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Synthesis and Characterization of High Refractive Index and High Abbe’s Number Poly(thioether sulfone)s based on Tricyclo[5.2.1.02,6]decane Moiety

(2012) Yasuo Suzuki et al.   MACROMOLECULES

Synthesis of highly refractive and transparent poly(arylene sulfide sulfone) based on 4,6-dichloropyrimidine and 3,6-dichloropyridazine

(2012) Gang Zhang et al.   POLYMER

Compensation and control of the birefringence of polymers for photonics

(2012) Akihiro Tagaya et al.   POLYMER JOURNAL

Open Babel: An open chemical toolbox

(2011) Noel M O'Boyle et al.   Journal of Cheminformatics

Advances in Patterning Materials for 193 nm Immersion Lithography

(2010) Daniel P. Sanders   CHEMICAL REVIEWS

Prediction of Refractive Index of Polymers Using Artificial Neural Networks

(2010) G. Astray et al.   JOURNAL OF CHEMICAL AND ENGINEERING DATA

Synthesis of sulfur-containing poly(thioester)s with high refractive indices and high Abbe numbers

(2010) Nam-Ho You et al.   Polymer Chemistry

Artificial neural network prediction of glass transition temperature of polymers

(2009) Wanqiang Liu et al.   COLLOID AND POLYMER SCIENCE

High refractive index polymers: fundamental research and practical applications

(2009) Jin-gang Liu et al.   JOURNAL OF MATERIALS CHEMISTRY

Estimation of synthetic accessibility score of drug-like molecules based on molecular complexity and fragment contributions

(2009) Peter Ertl et al.   Journal of Cheminformatics

On the Art of Compiling and Using 'Drug-Like' Chemical Fragment Spaces

(2008) Jörg Degen et al.   ChemMedChem

Synthesis, characterization and optical properties of fluorinated poly(aryl ether)s containing phthalazinone moieties

(2008) Yuan Song et al.   POLYMER