Zubarev, Dmitry

12 publications

ICLRW 2025 A Foundation Model for Simulation-Grade Molecular Electron Densities Eduardo Soares, Dmitry Zubarev, Victor Yukio Shirasuna, Emilio Vital Brazil, Breno W S R Carvalho, Brandi Ransom, Holt Bui, Krystelle Lionti, Caio Rodrigues Gama, Daniel Djinishian de Briquez

ICLRW 2025 SMI-TED: A Large-Scale Foundation Model for Materials and Chemistry Emilio Vital Brazil, Eduardo Soares, Victor Yukio Shirasuna, Renato Cerqueira, Dmitry Zubarev, Kristin Schmidt

NeurIPSW 2024 A Mamba-Based Foundation Model for Chemistry Emilio Vital Brazil, Eduardo Soares, Victor Yukio Shirasuna, Renato Cerqueira, Dmitry Zubarev, Kristin Schmidt

NeurIPSW 2024 A Mamba-Based Foundation Model for Chemistry Emilio Vital Brazil, Eduardo Soares, Victor Yukio Shirasuna, Renato Cerqueira, Dmitry Zubarev, Kristin Schmidt

NeurIPSW 2024 Agnostic Causality-Driven Enhancement of Chemical Foundation Models on Downstream Tasks Victor Yukio Shirasuna, Eduardo Soares, Emilio Vital Brazil, Karen Fiorella Aquino Gutierrez, Renato Cerqueira, Dmitry Zubarev, Kristin Schmidt

ICMLW 2024 Compositional Communication with LLMs and Reasoning About Chemical Structures Dmitry Zubarev, Sarathkrishna Swaminathan

NeurIPSW 2024 Compositional Communication with LLMs and Reasoning About Chemical Structures Sarathkrishna Swaminathan, Dmitry Zubarev

NeurIPSW 2023 A Framework for Toxic PFAS Replacement Based on GFlowNet and Chemical Foundation Model Eduardo Soares, Flaviu Cipcigan, Dmitry Zubarev, Emilio Vital Brazil

NeurIPSW 2023 Beyond Chemical Language: A Multimodal Approach to Enhance Molecular Property Prediction Eduardo Soares, Emilio Vital Brazil, Karen Fiorella Aquino Gutierrez, Renato Cerqueira, Daniel P Sanders, Kristin Schmidt, Dmitry Zubarev

ICMLW 2022 PGT: A Prompt Based Generative Transformer for the Patent Domain Dimitrios Christofidellis, Antonio Berrios Torres, Ashish Dave, Manuel Roveri, Kristin Schmidt, Sarath Swaminathan, Hans Vandierendonck, Dmitry Zubarev, Matteo Manica

NeurIPSW 2022 Toward Human-AI Co-Creation to Accelerate Material Discovery Dmitry Zubarev, Carlos Raoni de Alencar Mendes, Emilio Vital Brazil, Renato Cerqueira, Kristin Schmidt, Vinícius Costa Villas Bôas Segura, Juliana Jansen Ferreira, Dan Sanders

NeurIPSW 2021 Sample-Efficient Generation of Novel Photo-Acid Generator Molecules Using a Deep Generative Model Samuel C Hoffman, Vijil Chenthamarakshan, Dmitry Zubarev, Daniel P Sanders, Payel Das