most citedAccurate Prediction of Free Solvation Energy of Organic Molecules via Graph Attention Network and Message Passing Neural Network from Pairwise Atomistic Interactions

3 citations · 3 across the 2 of their papers we have counts for

collaborators

3 papers

physics.chem-ph2021

Charge Transfer as the Key Parameter Affecting Color Purity of TADF Emitters

Ramin Ansari, Wenhao Shao, Seong-Jun Yoon +2

The key factors determining the emission bandwidth of thermally activated delayed fluorescence (TADF) are investi-gated by combining computational and experimental approaches. To a…

physics.chem-ph2021★ 3 cited

Accurate Prediction of Free Solvation Energy of Organic Molecules via Graph Attention Network and Message Passing Neural Network from Pairwise Atomistic Interactions

Ramin Ansari, Amirata Ghorbani

Deep learning based methods have been widely applied to predict various kinds of molecular properties in the pharmaceutical industry with increasingly more success. Solvation free…

cond-mat.mtrl-sci2017

Design principles for the energy level tuning in donor/acceptor conjugated polymers

Daniel Hashemi, Xiao Ma, Jinsang Kim +1

To identify reliable molecular design principles for energy level tuning in donor/acceptor conjugated polymers (CPs), we studied the governing factors by means of ab initio calcula…