Cover Image

GLaD: Synergizing Molecular Graphs and Language Descriptors for Enhanced Power Conversion Efficiency Prediction in Organic Photovoltaic Devices

Fuente: arXiv

Saved in:

Bibliographic Details
Main Authors:	Nguyen, Thao, Torres-Flores, Tiara, Hwang, Changhyun, Edwards, Carl, Diao, Ying, Ji, Heng
Format:	Preprint
Published:	2024
Subjects:	Machine Learning Artificial Intelligence Chemical Physics
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

GLaD: Geometric Latent Distillation for Vision-Language-Action Models
by: Guo, Minghao, et al.
Published: (2025)

GPU-Accelerated Gravitational Lensing & Dynamical (GLaD) Modeling for Cosmology and Galaxies
by: Wang, Han, et al.
Published: (2025)

Proper Orthogonal Descriptors for Multi-element Chemical Systems
by: Nguyen, Ngoc-Cuong
Published: (2022)

Cover Picture: Molecular Structural Descriptor‐Assisted Machine Learning for Organic Photovoltaics with Perylenediimide Acceptors (BKCS 1/2024) Gyu‐Hee Kim, Keonho Yoon, Chihyung Lee, Minwoo Nam, Doo‐Hyun Ko
Published: (2024)

Automated Analysis of DFT Output Files for Molecular Descriptor Extraction and Reactivity Modeling
by: Huang, Yu-Chien, et al.
Published: (2026)

Bayesian Optimization in Chemical Compound Sub-Spaces using Low-Dimensional Molecular Descriptors
by: Mao, Yun-Wen, et al.
Published: (2026)

CHAOS -- A Consistent Large-scale Database for Sigma-Profiles and Other Molecular Descriptors
by: Gond, Dominik, et al.
Published: (2025)

Thermodynamic Descriptors from Molecular Dynamics as Machine Learning Features for Extrapolable Property Prediction
by: Espejo, Nuria H., et al.
Published: (2026)

Deep Learning Foundation Models from Classical Molecular Descriptors
by: Burns, Jackson W., et al.
Published: (2025)

An Automated Framework for Analyzing Structural Evolution in On-the-fly Non-adiabatic Molecular Dynamics Using Autoencoder and Multiple Molecular Descriptors
by: Liu, Hangxu, et al.
Published: (2025)

Panchromatic Absorbing Materials: Molecular Design and Challenges in Photovoltaic Applications
by: Chou, Hsien-Hsin
Published: (2025)

Precise Control of Doping Level and Molecular Structure in Conjugated Organic Materials: Property Design Toward Functional Devices
by: Ichiro Imae
Published: (2026)

Impact of Local Descriptors Derived from Machine Learning Potentials in Graph Neural Networks for Molecular Property Prediction
by: Uchiyama, Ryoichi, et al.
Published: (2026)

PyTIE: A Python Program for the Evaluation of Degree-Based Topological Descriptors and Molecular Entropy
by: Jeyaraj, Sahaya Vijay, et al.
Published: (2025)

Machine Learning Accelerated Descriptor Design for Catalyst Discovery in CO$_2$ to Methanol Conversion
by: Pisal, Prajwal, et al.
Published: (2024)

Excess Density as a Descriptor for Electrolyte Solvent Design
by: Kelly, Celia, et al.
Published: (2024)

High‐Conversion Microreactor for Hydrogenation of Organic Waste
by: Xiwen Yang, et al.
Published: (2025)

Metal-Organic Framework-Derived Sugarcoated Haws-like AgNWs/ZIF-8/Pd for Plasmon-Promoted Photocatalytic Hydrogenation
by: Li, Shuoren, et al.
Published: (2024)

Constrained Shadow Tomography for Molecular Simulation on Quantum Devices
by: Avdic, Irma, et al.
Published: (2025)

Accuracy and Efficiency Benchmarks of Pretrained Machine Learning Potentials for Molecular Simulations
by: Eastman, Peter, et al.
Published: (2026)

Atomistic Descriptor Optimization Using Complementary Euclidean and Geodesic Distance Information
by: Iyer, Gopal R., et al.
Published: (2024)

Benchmarking Universal Machine-Learned Interatomic Potentials for High-Temperature Metal-Organic Framework Chemistry
by: Edwards, Connor W., et al.
Published: (2026)

Committors without Descriptors
by: Kang, Peilin, et al.
Published: (2025)

Crystalline Framework Electrodes for Hybrid Supercapacitors: Device‐Oriented Design From Metal–Organic and Covalent Organic Frameworks to Practical Hybrids
by: Vipada Aupama, et al.
Published: (2026)

An Opportunity for Synergizing Desalination by Membrane Distillation Assisted Reverse‐Electrodialysis for Water/Energy Recovery
by: Muhammad Mujahid, et al.
Published: (2024)

Prediction of Activity Coefficients by Similarity-Based Imputation using Quantum-Chemical Descriptors
by: Hayer, Nicolas, et al.
Published: (2024)

Sensitivity of Photovoltaic Cells Efficiency to Initial Conditions in Various Aggregation Designs
by: Navadel, Baharak Mohamad Jafari, et al.
Published: (2024)

Universal Catalyst Design Framework for Electrochemical Hydrogen Peroxide Synthesis Facilitated by Local Atomic Environment Descriptors
by: Liu, Zhijian, et al.
Published: (2025)

Influence of Blood Rheology on Hemodialysis Efficiency via Computational Simulation
by: L. A. Ramírez‐Torres, et al.
Published: (2026)

Molecular Heterogeneous Photocatalysts for Visible‐Light‐Driven CO2 Reduction
by: Yuanyuan Qi, et al.
Published: (2024)

Uni-Mol3: A Multi-Molecular Foundation Model for Advancing Organic Reaction Modeling
by: Wu, Lirong, et al.
Published: (2025)

Gas‐to‐Liquid Conversion From Mixed Biomass via Aspen Plus: Efficiency and Product Analysis
by: Arif Rahman Saleh, et al.
Published: (2026)

Metal‐ and Metalloid‐Functionalized Diketopyrrolopyrroles for High‐Performance Photovoltaics
by: Yuvraj Patil, et al.
Published: (2026)

Mol-LLaMA: Towards General Understanding of Molecules in Large Molecular Language Model
by: Kim, Dongki, et al.
Published: (2025)

Revisiting Sampling Strategies for Molecular Generation
by: Ni, Yuyan, et al.
Published: (2025)

SynAsk: Unleashing the Power of Large Language Models in Organic Synthesis
by: Zhang, Chonghuan, et al.
Published: (2024)

Nickel Foam Electrodes—A Versatile, Powerful, and Readily Available Tool in Electro‐Organic Synthesis
by: Rok Narobe, et al.
Published: (2026)

Active-Spin-State-Derived Descriptor for Hydrogen Evolution Reaction Catalysis
by: Tan, Yu, et al.
Published: (2025)

Metal‐Organic Frameworks for Alleviating Environmental Stress in Crops
by: Yu‐Qing Liu, et al.
Published: (2026)

High-Accuracy Physical Property Prediction for Organics via Molecular Representation Learning: Bridging Data to Discovery
by: Ou, Qi, et al.
Published: (2025)