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H

Heather J. Kulik

massachusetts institute of technology

56H指数
527论文数
1.2W被引数
收录论文 176
发表时间
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Enhancing materials discovery with valence-constrained design in generative modeling通过价态约束设计在生成模型中增强材料发现
errNature Computational Science
IF18.3
err2026-08-26
err0
PREAI
errMouyang Cheng; Weiliang Luo; Hao Tang; Bowen Yu; Yongqiang Cheng; Weiwei Xie; Ju Li; Heather J. Kulik; Mingda Li
err分享
err收藏
Robust generative transition-state models for unseen chemistry为未知化学构建稳健的生成式过渡态模型
errNature Computational Science
IF18.3
err2026-08-12
err0
PREAI
errSamir Darouich; Jacob W. Toney; Weiliang Luo; Johannes Kästner; Mathias Niepert; Heather J. Kulik
err分享
err收藏
Mechanophore cross-linking enhances ballistic energy dissipation of polymers机械发色团交联增强聚合物的弹道能量耗散
errNature
IF48.5
err2026-06-03
err0
PREAI
errZhen Sang; Suong T. Nguyen; Kwangwook Ko; Senpeng Lin; Heecheol Jang; Simon Gonzalez-Zapata; Sullivan Fitz; Yun Kai; Steven Kooi; Chuting Deng; Monica Olvera de la Cruz; Marisol Koslowski; Heather J. Kulik; Stephen L. Craig; Keith A. Nelson; Jeremiah A. Johnson
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QuantumPDB: A Workflow for High-Throughput Quantum Cluster Model Generation from Protein StructuresQuantumPDB：一种从蛋白质结构生成高通量量子簇模型的工作流
errJournal of Chemical Information and Modeling
IF5.3
err2026-05-05
err0
errOAAI
errDavid W. Kastner; Weiliang Luo; Wilson Ho; Clorice R. Reinhardt; Allison Keys; Heather J. Kulik
err分享
err收藏
Out-of-equilibrium confinement catalysis mediated by compressive force非平衡态压缩力介导的限域催化
errChem
IF19.6
err2026-04-17
err0
PREAI
errFang-Zi Liu; Shi Li; Yufei Zhu; Yan Liu; Jian Wang; Heather J. Kulik; KaKing Yan
err分享
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Mammalian-like steroidogenesis in plants gives rise to endocrine-mimetic cardenolides哺乳动物样类固醇生物合成在植物中产生内分泌模拟强心苷
errScience Advances
IF12.5
err2026-04-01
err0
PREAI
errXu, Menglong; Kastner, David W.; Luo, Weiliang; Li, Fu-Shuang; Muller, Peter; Sun, Yulin; Huang, Wentao; Glinkerman, Christopher M.; Guempel, Morgan; Kulik, Heather J.; Weng, Jing-Ke
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Roadmap for transforming heterogeneous catalysis with artificial intelligence用人工智能改造多相催化的路线图
errNature Catalysis
IF44.6
err2026-02-16
err0
PREAI
errHongliang Xin; John R. Kitchin; Núria López; Neil M. Schweitzer; Nongnuch Artrith; Fanglin Che; Lars C. Grabow; G. T. Kasun Kalhara Gunasooriya; Heather J. Kulik; Teodoro Laino; Hao Li; Suljo Linic; Andrew J. Medford; Randall J. Meyer; Jiayu Peng; Cory Phillips; Jin Qian; Long Qi; Wendy J. Shaw; Zachary W. Ulissi; Siwen Wang; Xiaonan Wang
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Combining Chemical; Geometric; and Novel Topological Features to Develop Generalizable Machine Learning Models for Predicting Mechanically Stable MOFs结合化学、几何及新型拓扑特征，开发可推广的机器学习模型以预测机械稳定的MOFs
errj. mater. chem. a
IF0
err2026-01-06
err0
errOAAI
errAkash Ball; Changhwan Oh; Gozel Dovranova; Heather Kulik
err分享
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Caging the Chlorine Radical: Chemoselective Photocatalytic C(sp3)-H Functionalization Enabled by Terminal Cu-Cl Sites in a Metal-Organic Framework
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2026-01-01
err0
PREAI
errEaton, Mary C.; Ball, Akash K.; Doherty, Katrina E.; Chen, Sky; Nakamura, Daniel T.; Azbell, Tyler J.; Kulik, Heather J.; Milner, Phillip J.
err分享
err收藏
Helical Complex Ladder Polymer with Amplification of Asymmetry
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2026-01-01
err0
PREAI
errWang, Yuzhe; Xie, Yuchen; Chen, Yifu; Oh, Changhwan; Fang, Qiyi; Chivukula, Kaushik; Zhang, Honghu; Zhao, Cheng; Zhang, Sarah; Ananth, Nandini; Kulik, Heather J.; Zhong, Yu
err分享
err收藏
The specificity and structure of DNA cross-linking by the gut bacterial genotoxin colibactin肠道细菌基因毒素colibactin引起的DNA交联的特异性和结构
errScience
IF45.8
err2025-12-04
err0
PREAI
errErik S. Carlson; Raphael Haslecker; Chiara Lecchi; Miguel A. Aguilar Ramos; Vyshnavi Vennelakanti; Linda Honaker; Alessia Stornetta; Estela S. Millán; Bruce A. Johnson; Heather J. Kulik; Silvia Balbo; Peter W. Villalta; Victoria M. D’Souza; Emily P. Balskus
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Photochemical Fluoroalkylations with Fluorinated Gases Facilitated by a Robust Metal-Organic Framework
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2025-12-01
err0
PREAI
errHe, Jiachen; Randrianandraina, Joharimanitra; Adamji, Husain; Chang, Valerie; Lai, Yihuan; Nguyen, Truong N.; Roman-Leshkov, Yuriy; Kulik, Heather J.; Lee, Jung-Hoon; Milner, Phillip J.
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err收藏
Reimagining Polymer Networks from Molecule to Material
errMACROMOLECULES
IF5.2
err2025-12-01
err0
PREAI
errNechmad, Noy B.; Campos, Luis M.; Craig, Stephen L.; Deng, Chuting; Diodati, Jackson; Ekim, Sunay D.; Garcia Villatoro, Emmanuel; Gong, Jian Ping; Herzog-Arbeitman, Abraham; Huang, Xiao; Johnson, Jeremiah A.; Kalow, Julia A.; Kemmerling, Ryann E.; Kevlishvili, Ilia; Kitos Vasconcelos, Ana Paula; Klausen, Rebekka S.; Kulik, Heather J.; Bayon, Jorge Leganes; Ma, Yingzi; Mcfee, Elvis; Mendenhall, Juana; Moore, Jeffrey S.; Nelson, Alshakim; Olsen, Bradley D.; Rubinstein, Michael; Schindler, Corinna S.; Sottos, Nancy R.; Steinmetz, Nicole F.; Wei, Shixuan; Xie, Fangbai
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Identifying Dynamic Metal-Ligand Coordination Modes with Ensemble Learning识别动态金属-配体配位模式与集成学习
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2025-12-01
err0
PREAI
errToney, Jacob W.; Michel, Roland G. St; Garrison, Aaron G.; Kevlishvili, Ilia; Kulik, Heather J.
err分享
err收藏
Active Site Dynamics in Molybdenum-Based Silica-Supported Olefin Metathesis Catalysts: Site Renewal and Decay Beyond the Chauvin Cycle钼基二氧化硅负载烯烃复分解催化剂的活性位点动力学：超越Chauvin循环的位点再生与衰减
errJournal of the American Chemical Society
IF15.6
err2025-11-17
err0
PREAI
errRan Zhu; Griffin Drake; Husain H. Adamji; Zachariah J. Berkson; Jie Zhu; Ashley R. Head; Heather J. Kulik; Christophe Copéret; Yuriy Román-Leshkov
err分享
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Tetrafunctional cyclobutanes tune toughness via network strand continuity四官能环丁烷通过网络链连续性调节韧性
errNature Chemistry
IF20.2
err2025-11-14
err0
PREAI
errAbraham Herzog-Arbeitman; Ilia Kevlishvili; Devosmita Sen; Julianna Lian; Joshika Chakraverty; Peter Mueller; Shu Wang; Bradley D. Olsen; Heather J. Kulik; Stephen L. Craig; Jeremiah A. Johnson
err分享
err收藏
Excitonic Anisotropy in Single-Crystalline 2D Silver Phenylchalcogenides单晶二维银苯硫族化合物的激子各向异性
errAdvanced Optical Materials
IF7.2
err2025-10-30
err0
errOAAI
errWoo Seok Lee; Yeongsu Cho; Katarzyna Posmyk; Paulina Peksa; Mateusz Dyksik; Nicholas Samulewicz; Paulina Plochocka; Michał Baranowski; Heather J. Kulik; William A. Tisdale
err分享
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Exploring beyond experiment: generating high-quality datasets of transition metal complexes with quantum chemistry and machine learning探索超越实验：利用量子化学和机器学习生成高质量过渡金属配合物数据集
errCurrent Opinion in Chemical Engineering
IF6.8
err2025-10-04
err0
PREAI
errJacob W Toney; Aaron G Garrison; Weiliang Luo; Roland G St. Michel; Sukrit Mukhopadhyay; Heather J Kulik
err分享
err收藏
Towards agentic science for advancing scientific discovery迈向智能体科学以推动科学发现
errNature Machine Intelligence
IF23.9
err2025-09-10
err0
PREAI
errHongliang Xin; John R. Kitchin; Heather J. Kulik
err分享
err收藏
Tracing the stepwise Darwinian evolution of a plant halogenase追踪植物卤素酶的逐步达尔文式进化
errScience Advances
IF12.5
err2025-08-13
err0
errOAAI
errColin Y. Kim; David W. Kastner; Andrew J. Mitchell; Michael A. Gutierrez; Jocelyn S. Yao; Edwin N. Neumann; Heather J. Kulik; Jing-Ke Weng
err分享
err收藏

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