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ORCIDDmitry Zubarev
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2020 – today
- 2024
[j4]Yuri Alexeev, Maximilian Amsler, Marco Antonio Barroca, Sanzio Bassini, Torey Battelle, Daan Camps, David Casanova, Young Jay Choi, Frederic T. Chong, Charles Chung, Christopher Codella, Antonio D. Córcoles, James Cruise, Alberto Di Meglio, Ivan Duran, Thomas Eckl, Sophia E. Economou, Stephan J. Eidenbenz, Bruce Elmegreen, Clyde Fare, Ismael Faro, Cristina Sanz Fernández, Rodrigo Neumann Barros Ferreira
, Keisuke Fuji, Bryce Fuller, Laura Gagliardi, Giulia Galli, Jennifer R. Glick, Isacco Gobbi, Pranav Gokhale, Salvador de la Puente Gonzalez, Johannes Greiner, Bill Gropp, Michele Grossi, Emanuel Gull, Burns Healy, Matthew R. Hermes, Benchen Huang, Travis S. Humble, Nobuyasu Ito, Artur F. Izmaylov, Ali Javadi-Abhari, Douglas M. Jennewein, Shantenu Jha, Liang Jiang, Barbara Jones, Wibe Albert de Jong, Petar Jurcevic, William M. Kirby, Stefan Kister, Masahiro Kitagawa, Joel Klassen, Katherine Klymko, Kwangwon Koh, Masaaki Kondo, Doga Murat Kürkçüoglu, Krzysztof Kurowski, Teodoro Laino, Ryan Landfield, Matthew L. Leininger, Vicente Leyton-Ortega, Ang Li, Meifeng Lin, Junyu Liu, Nicolás Lorente, André Luckow, Simon Martiel, Francisco Martín-Fernández, Margaret Martonosi, Claire Marvinney, Arcesio Castañeda Medina, Dirk Merten, Antonio Mezzacapo, Kristel Michielsen, Abhishek Mitra, Tushar Mittal, Kyungsun Moon, Joel Moore, Sarah Mostame, Mario Motta, Young-Hye Na, Yunseong Nam, Prineha Narang, Yu-ya Ohnishi, Daniele Ottaviani, Matthew Otten, Scott Pakin, Vincent R. Pascuzzi, Edwin Pednault, Tomasz Piontek, Jed Pitera, Patrick Rall, Gokul Subramanian Ravi, Niall Robertson, Matteo A. C. Rossi, Piotr Rydlichowski, Hoon Ryu, Georgy Samsonidze, Mitsuhisa Sato, Nishant Saurabh, Vidushi Sharma, Kunal Sharma, Soyoung Shin, George Slessman, Mathias Steiner, Iskandar Sitdikov, In-Saeng Suh, Eric D. Switzer, Wei Tang, Joel Thompson, Synge Todo, Minh C. Tran, Dimitar Trenev, Christian Trott, Huan-Hsin Tseng, Norm M. Tubman, Esin Tureci, David García Valiñas, Sofia Vallecorsa, Christopher Wever, Konrad Wojciechowski, Xiaodi Wu, Shinjae Yoo, Nobuyuki Yoshioka, Victor Wen-zhe Yu, Seiji Yunoki, Sergiy Zhuk, Dmitry Zubarev:
Quantum-centric supercomputing for materials science: A perspective on challenges and future directions. Future Gener. Comput. Syst. 160: 666-710 (2024)- [i12]Eduardo E. M. Soares, Victor Shirasuna, Emilio Vital Brazil, Renato Cerqueira, Dmitry Zubarev, Kristin Schmidt:
A Large Encoder-Decoder Family of Foundation Models For Chemical Language. CoRR abs/2407.20267 (2024) - 2023
- [j3]Vidushi Sharma, Maxwell Giammona, Dmitry Zubarev, Andy Tek, Khanh Nugyuen, Linda Sundberg, Daniele Congiu, Young-Hye La:
Formulation Graphs for Mapping Structure-Composition of Battery Electrolytes to Device Performance. J. Chem. Inf. Model. 63(22): 6998-7010 (2023) - [i11]Girmaw Abebe Tadesse, Jannis Born, Celia Cintas, William Ogallo, Dmitry Zubarev, Matteo Manica, Komminist Weldemariam:
Domain-agnostic and Multi-level Evaluation of Generative Models. CoRR abs/2301.08750 (2023) - [i10]Juliana Jansen Ferreira, Vinícius C. V. B. Segura, Joana G. R. Souza, Gabriel D. J. Barbosa, João Gallas, Renato Cerqueira, Dmitry Zubarev:
Human-AI Co-Creation Approach to Find Forever Chemicals Replacements. CoRR abs/2304.05389 (2023) - [i9]Eduardo E. M. Soares, Emilio Vital Brazil, Karen Fiorela Aquino Gutierrez, Renato Cerqueira, Dan Sanders, Kristin Schmidt, Dmitry Zubarev:
Beyond Chemical Language: A Multimodal Approach to Enhance Molecular Property Prediction. CoRR abs/2306.14919 (2023) - [i8]Vidushi Sharma, Maxwell Giammona, Dmitry Zubarev, Andy Tek, Khanh Nugyuen, Linda Sundberg, Daniele Congiu, Young-Hye La:
Formulation Graphs for Mapping Structure-Composition of Battery Electrolytes to Device Performance. CoRR abs/2307.03811 (2023) - 2022
- [i7]Dmitry Yu. Zubarev, Petar Ristoski:
Topology-Driven Generative Completion of Lacunae in Molecular Data. CoRR abs/2208.00063 (2022) - [i6]Dmitry Zubarev, Carlos Raoni Mendes, Emilio Vital Brazil, Renato Cerqueira, Kristin Schmidt, Vinícius C. V. B. Segura, Juliana Jansen Ferreira, Dan Sanders:
Toward Human-AI Co-creation to Accelerate Material Discovery. CoRR abs/2211.04257 (2022) - 2021
- [i5]Seiji Takeda, Toshiyuki Hama, Hsiang-Han Hsu, Akihiro Kishimoto, Makoto Kogoh, Takumi Hongo, Kumiko Fujieda, Hideaki Nakashika, Dmitry Zubarev, Daniel P. Sanders, Jed W. Pitera, Junta Fuchiwaki, Daiju Nakano:
Molecule Generation Experience: An Open Platform of Material Design for Public Users. CoRR abs/2108.03044 (2021) - [i4]Samuel C. Hoffman, Vijil Chenthamarakshan, Dmitry Yu. Zubarev, Daniel P. Sanders, Payel Das:
Sample-Efficient Generation of Novel Photo-acid Generator Molecules using a Deep Generative Model. CoRR abs/2112.01625 (2021) - 2020
- [c4]Petar Ristoski, Dmitry Yu. Zubarev, Anna Lisa Gentile, Nathaniel Park, Daniel Sanders, Daniel Gruhl, Linda Kato, Steve Welch:
Expert-in-the-loop AI for Polymer Discovery. CIKM 2020: 2701-2708 - [c3]Seiji Takeda, Toshiyuki Hama, Hsiang-Han Hsu, Victoria A. Piunova, Dmitry Zubarev, Daniel P. Sanders, Jed W. Pitera, Makoto Kogoh, Takumi Hongo, Yenwei Cheng, Wolf Bocanett, Hideaki Nakashika, Akihiro Fujita, Yuta Tsuchiya, Katsuhiko Hino, Kentaro Yano, Shuichi Hirose, Hiroki Toda, Yasumitsu Orii, Daiju Nakano:
Molecular Inverse-Design Platform for Material Industries. KDD 2020: 2961-2969 - [i3]Seiji Takeda, Toshiyuki Hama, Hsiang-Han Hsu, Toshiyuki Yamane, Koji Masuda, Victoria A. Piunova, Dmitry Zubarev, Jed Pitera, Daniel P. Sanders, Daiju Nakano:
AI-driven Inverse Design System for Organic Molecules. CoRR abs/2001.09038 (2020) - [i2]Seiji Takeda, Toshiyuki Hama, Hsiang-Han Hsu, Victoria A. Piunova, Dmitry Zubarev, Daniel P. Sanders, Jed W. Pitera, Makoto Kogoh, Takumi Hongo, Yenwei Cheng, Wolf Bocanett, Hideaki Nakashika, Akihiro Fujita, Yuta Tsuchiya, Katsuhiko Hino, Kentaro Yano, Shuichi Hirose, Hiroki Toda, Yasumitsu Orii, Daiju Nakano:
Molecular Inverse-Design Platform for Material Industries. CoRR abs/2004.11521 (2020)
2010 – 2019
- 2019
- [c2]Sarath Swaminathan, Dmitry Yu. Zubarev, Mark Kunitomi:
A recommender system for antimicrobial resistance. BIBM 2019: 1373-1379 - 2018
- [i1]Stephen Boyer, Thomas D. Griffin, Sarath Swaminathan, Kenneth L. Clarkson, Dmitry Zubarev:
Data Infrastructure and Approaches for Ontology-Based Drug Repurposing. CoRR abs/1807.09754 (2018) - 2017
- [c1]Pingjie Tang, Jed Pitera, Dmitry Zubarev, Nitesh V. Chawla:
Materials Science Literature-Patent Relevance Search: A Heterogeneous Network Analysis Approach. DSAA 2017: 146-154
2000 – 2009
- 2007
- [j2]Dmitry Yu. Zubarev, Alexander I. Boldyrev:
Comprehensive analysis of chemical bonding in boron clusters. J. Comput. Chem. 28(1): 251-268 (2007) - [j1]Seth T. Call, Dmitry Yu. Zubarev, Alexander I. Boldyrev:
Global minimum structure searches via particle swarm optimization. J. Comput. Chem. 28(7): 1177-1186 (2007)
Coauthor Index
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