Predictions of photophysical properties of phosphorescent platinum(II) complexes based on ensemble machine learning approach

Exceptionally stable blue phosphorescent organic light-emitting diodes

(2022) Jinwon Sun et al.   Nature Photonics

A Brief History of OLEDs—Emitter Development and Industry Milestones

(2021) Gloria Hong et al.   ADVANCED MATERIALS

High-Throughput Screening and Automated Data-Driven Analysis of the Triplet Photophysical Properties of Structurally Diverse, Heteroleptic Iridium(III) Complexes

(2021) Stephen DiLuzio et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Combining Machine Learning and Computational Chemistry for Predictive Insights Into Chemical Systems

(2021) John A. Keith et al.   CHEMICAL REVIEWS

Data-driven machine learning models for quick prediction of thermal stability properties of OLED materials

(2021) Y. Zhao et al.   Materials Today Chemistry

Computer aided design of stable and efficient OLEDs

(2020) Leanne Paterson et al.   JOURNAL OF APPLIED PHYSICS

Predicting Phosphorescence Quantum Yield for Pt(II)-Based OLED Emitters from Correlation Function Approach

(2019) Inkoo Kim et al.   Journal of Physical Chemistry C

A high throughput molecular screening for organic electronics via machine learning: present status and perspective

(2019) Akinori Saeki et al.   JAPANESE JOURNAL OF APPLIED PHYSICS

Using SMILES strings for the description of chemical connectivity in the Crystallography Open Database

(2018) Miguel Quirós et al.   Journal of Cheminformatics

Design of efficient blue phosphorescent bottom emitting light emitting diodes by machine learning approach

(2018) M.A. Janai et al.   ORGANIC ELECTRONICS

Design of efficient molecular organic light-emitting diodes by a high-throughput virtual screening and experimental approach

(2016) Rafael Gómez-Bombarelli et al.   NATURE MATERIALS

Excitons in poly(para phenylene vinylene): a quantum-chemical perspective based on high-level ab initio calculations

(2016) Stefanie A. Mewes et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Highly phosphorescent platinum(ii) emitters: photophysics, materials and biological applications

(2016) Kai Li et al.   Chemical Science

New tools for the systematic analysis and visualization of electronic excitations. I. Formalism

(2014) Felix Plasser et al.   JOURNAL OF CHEMICAL PHYSICS

New tools for the systematic analysis and visualization of electronic excitations. II. Applications

(2014) Felix Plasser et al.   JOURNAL OF CHEMICAL PHYSICS

Alternative Approach to Chemical Accuracy: A Neural Networks-Based First-Principles Method for Heat of Formation of Molecules Made of H, C, N, O, F, S, and Cl

(2014) Jian Sun et al.   JOURNAL OF PHYSICAL CHEMISTRY A

On the Metric of Charge Transfer Molecular Excitations: A Simple Chemical Descriptor

(2013) Ciro A. Guido et al.   Journal of Chemical Theory and Computation

Light-emitting platinum(ii) complexes supported by tetradentate dianionic bis(N-heterocyclic carbene) ligands: towards robust blue electrophosphors

(2013) Kai Li et al.   Chemical Science

Analysis of Excitonic and Charge Transfer Interactions from Quantum Chemical Calculations

(2012) Felix Plasser et al.   Journal of Chemical Theory and Computation

Polarizable continuum model

(2012) Benedetta Mennucci   Wiley Interdisciplinary Reviews-Computational Molecular Science

Scalable and Parallel Boosting with MapReduce

(2011) Indranil Palit et al.   IEEE TRANSACTIONS ON KNOWLEDGE AND DATA ENGINEERING

Excitation energies in density functional theory: An evaluation and a diagnostic test

(2008) Michael J. G. Peach et al.   JOURNAL OF CHEMICAL PHYSICS