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R

Rafael Gómez‐Bombarelli

massachusetts institute of technology

42H指数
281论文数
1.0W被引数
收录论文 108
发表时间
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Designing Vanadium-Based Oxide Electrocatalysts for Water Splitting: Experimental and Mechanistic Insights with Machine Learning设计用于水分解的钒基氧化物电催化剂：机器学习辅助的实验与机理洞察
errAdvanced Functional Materials
IF19
err2026-09-08
err0
errOAAI
errYouness El Issmaeli; Amina Lahrichi; Hoje Chun; Rafael Gómez-Bombarelli; Bruno G. Pollet
err分享
err收藏
Computational discovery of polymer electrolytes with Bayesian optimization and high-throughput molecular dynamics simulations基于贝叶斯优化和高通量分子动力学模拟的聚合物电解质计算发现
errMatter
IF17.5
err2026-07-16
err0
PREAI
errAntonia S. Kuhn; Jurģis Ruža; KyuJung Jun; Pablo Leon; Rafael Gómez-Bombarelli
err分享
err收藏
From Cation Solvation to Anion Coordination: Lewis-Acidic Boranes Enable Halide Salt Electrolytes从阳离子溶剂化到阴离子配位：路易斯酸性硼烷使卤化物盐电解质成为可能
errThe Journal of Physical Chemistry B
IF2.9
err2026-07-02
err0
PREAI
errSawyer D. Cawthern; Asya Svirinovsky-Arbeli; Megan R. Hill; Louis Ah; Pablo Leon; Lauren E. Marbella; Rafael Gómez-Bombarelli; Yang Shao-Horn; Jeremiah A. Johnson
err分享
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Molecular Design Strategies for High-Voltage Organic Cathodes高电压有机正极的分子设计策略
errAdvanced Energy Materials
IF26
err2026-05-26
err0
errOAAI
errSungil Hong; Alae Eddine Lakraychi; Artur Lyssenko; Abhishek Ashwin Panchal; Harshan Reddy Gopidi; Pieremanuele Canepa; Rafael Gómez-Bombarelli; Yan Yao; Rajeev Surendran Assary
err分享
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The loss landscape of powder X-ray diffraction-based structure optimization is too rough for gradient descent基于粉末X射线衍射的结构优化的损失景观对梯度下降而言过于粗糙
errDigital Discovery
IF5.6
err2026-04-10
err0
errOAAI
errNofit Segal; Akshay Subramanian; Mingda Li; Benjamin Kurt Miller; Rafael Gómez-Bombarelli
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err收藏
The Free Energy Landscape of Li- and Na-Ion Transport in Nanoconfinement with Machine Learning Interatomic Potentials纳米限域中锂离子和钠离子输运的自由能景观与机器学习原子间势能
errChemistry of Materials
IF7
err2026-04-07
err0
PREAI
errSauradeep Majumdar; Swagata Roy; KyuJung Jun; Miguel Steiner; Rafael Gómez-Bombarelli
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DiffSyn: a generative diffusion approach to materials synthesis planningDiffSyn: 材料综合计划的生成扩散方法
errNature Computational Science
IF18.3
err2026-02-02
err0
PREAI
errElton Pan; Soonhyoung Kwon; Sulin Liu; Mingrou Xie; Alexander J. Hoffman; Yifei Duan; Thorben Prein; Killian Sheriff; Yuriy Roman-Leshkov; Manuel Moliner; Rafael Gomez-Bombarelli; Elsa A. Olivetti
err分享
err收藏
Known Unknowns: Out-of-Distribution Property Prediction in Materials and Molecules已知未知：材料与分子中的分布外属性预测
errnpj Computational Materials
IF11.9
err2025-11-20
err0
errOAAI
errNofit Segal; Aviv Netanyahu; Kevin P. Greenman; Pulkit Agrawal; Rafael Gómez-Bombarelli
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A unified active learning framework for photosensitizer design一种用于光敏剂设计的统一主动学习框架
errChem. Sci.
IF7.4
err2025-11-17
err0
errOAAI
errYizhe Chen; Shomik Verma; Kevin P Greenman; Haoyu Yin; Zhihao Wang; Lanjing Wang; Jiali Li; Rafael Gomez-Bombarelli; Aron Walsh; Xiaonan Wang
err分享
err收藏
Mechanistic Decomposition of Ion Transport in Amorphous Polymer Electrolytes via Molecular Dynamics通过分子动力学对无定形聚合物电解质中离子传输的机制分解
errJOURNAL OF PHYSICAL CHEMISTRY LETTERS
IF4.6
err2025-11-01
err0
PREAI
errLeon, Pablo A.; Jun, Kyujung; Gordiz, Kiarash; Shao-Horn, Yang; Gomez-Bombarelli, Rafael
err分享
err收藏
Flow matching for accelerated simulation of atomic transport in crystalline materials晶格材料中原子传输加速模拟的流匹配
errNature Machine Intelligence
IF23.9
err2025-10-16
err0
PREAI
errJuno Nam; Sulin Liu; Gavin Winter; KyuJung Jun; Soojung Yang; Rafael Gómez-Bombarelli
err分享
err收藏
Transferable Learning of Reaction Pathways from Geometric Priors
errJOURNAL OF PHYSICAL CHEMISTRY LETTERS
IF4.6
err2025-10-01
err0
PREAI
errNam, Juno; Steiner, Miguel; Misterka, Max; Yang, Soojung; Singhal, Avni; Gomez-Bombarelli, Rafael
err分享
err收藏
Autonomous Discovery of Polymer Electrolyte Formulations with Warm-Start Batch Bayesian Optimization基于热启动批处理贝叶斯优化的聚合物电解质配方自主发现
errCHEMISTRY OF MATERIALS
IF7
err2025-09-01
err0
PREAI
errRuza, Jurgis; Stolberg, Michael A.; Cawthern, Sawyer; Johnson, Jeremiah A.; Shao-Horn, Yang; Gomez-Bombarelli, Rafael
err分享
err收藏
A comprehensive mapping of zeolite–template chemical space沸石-模板化学空间的全面映射
errNature Computational Science
IF18.3
err2025-08-07
err0
PREAI
errMingrou Xie; Daniel Schwalbe-Koda; Yolanda Marcela Semanate-Esquivel; Estefanía Bello-Jurado; Alexander Hoffman; Omar Santiago-Reyes; Cecilia Paris; Manuel Moliner; Rafael Gómez-Bombarelli
err分享
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Enhanced sampling of robust molecular datasets with uncertainty-based collective variables
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2025-01-15
err0
errOAAI
errTan, Aik Rui; Dietschreit, Johannes C. B.; Gomez-Bombarelli, Rafael
err分享
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Embedded machine-readable molecular representation for resource-efficient deep learning applications
errDIGITAL DISCOVERY
IF5.6
err2025-01-01
err0
errOAAI
errNunez-Andrade, Emilio; Vidal-Daza, Isaac; Ryan, James W.; Gomez-Bombarelli, Rafael; Martin-Martinez, Francisco J.
err分享
err收藏
Symmetry-constrained generation of diverse low-bandgap molecules with Monte Carlo tree search对称性约束下利用蒙特卡洛树搜索生成多样化的低带隙分子
errCHEMICAL SCIENCE
IF7.4
err2025-01-01
err0
errOAAI
errSubramanian, Akshay; Damewood, James; Nam, Juno; Greenman, Kevin P.; Singhal, Avni P.; Gomez-Bombarelli, Rafael
err分享
err收藏
Active learning accelerated exploration of single-atom local environments in multimetallic systems for oxygen electrocatalysis
errNPJ COMPUTATIONAL MATERIALS
IF11.9
err2024-10-19
err0
errOAAI
errChun, Hoje; Lunger, Jaclyn R.; Kang, Jeung Ku; Gomez-Bombarelli, Rafael; Han, Byungchan
err分享
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Low-Dispersity Polymers via Free Radical Alternating Copolymerization: Effects of Charge-Transfer-Complexes
errANGEWANDTE CHEMIE-INTERNATIONAL EDITION
IF16.9
err2024-09-12
err1
errOAAI
errGu, Yu; Zhang, Zexi; Gao, Tianyi; Gomez-Bombarelli, Rafael; Chen, Mao
err分享
err收藏
Machine Learning Guided AQFEP: A Fast and Efficient Absolute Free Energy Perturbation Solution for Virtual Screening
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-08-15
err1
errOAAI
errCrivelli-Decker, Jordan E.; Beckwith, Zane; Tom, Gary; Le, Ly; Khuttan, Sheenam; Salomon-Ferrer, Romelia; Beall, Jackson; Gomez-Bombarelli, Rafael; Bortolato, Andrea
err分享
err收藏

研究方向

暂无研究方向
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