Search Results for author: Dmitry Zubarev

Found 6 papers, 0 papers with code

Formulation Graphs for Mapping Structure-Composition of Battery Electrolytes to Device Performance

no code implementations7 Jul 2023 Vidushi Sharma, Maxwell Giammona, Dmitry Zubarev, Andy Tek, Khanh Nugyuen, Linda Sundberg, Daniele Congiu, Young-Hye La

A widely adopted approach involves domain informed high-throughput screening of individual components that can be combined into a formulation.

Transfer Learning

Beyond Chemical Language: A Multimodal Approach to Enhance Molecular Property Prediction

no code implementations22 Jun 2023 Eduardo Soares, Emilio Vital Brazil, Karen Fiorela Aquino Gutierrez, Renato Cerqueira, Dan Sanders, Kristin Schmidt, Dmitry Zubarev

Our approach opens up promising avenues for future research in molecular property prediction by harnessing the synergistic potential of both chemical language and physicochemical features, leading to enhanced performance and advancements in the field.

feature selection Language Modelling +2

Domain-agnostic and Multi-level Evaluation of Generative Models

no code implementations20 Jan 2023 Girmaw Abebe Tadesse, Jannis Born, Celia Cintas, William Ogallo, Dmitry Zubarev, Matteo Manica, Komminist Weldemariam

To this end, we propose a framework for Multi-level Performance Evaluation of Generative mOdels (MPEGO), which could be employed across different domains.

Toward Human-AI Co-creation to Accelerate Material Discovery

no code implementations5 Nov 2022 Dmitry Zubarev, Carlos Raoni Mendes, Emilio Vital Brazil, Renato Cerqueira, Kristin Schmidt, Vinicius Segura, Juliana Jansen Ferreira, Dan Sanders

There is an increasing need in our society to achieve faster advances in Science to tackle urgent problems, such as climate changes, environmental hazards, sustainable energy systems, pandemics, among others.


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