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Aditya Nandy

massachusetts institute of technology (mit)

29H指数
141论文数
3.3K被引数
收录论文 41
发表时间
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The rise of generative AI for metal-organic framework design and synthesis生成式AI在金属有机框架设计及合成中的应用兴起
errMatter
IF17.5
err2026-03-30
err0
errOAAI
errChenru Duan; Aditya Nandy; Shyam Chand Pal; Xin Yang; Wenhao Gao; Yuanqi Du; Hendrik Kraß; Yeonghun Kang; Varinia Bernales; Zuyang Ye; Tristan Pyle; Ray Yang; Zeqi Gu; Philippe Schwaller; Shengqian Ma; Shijing Sun; Alán Aspuru-Guzik; Seyed Mohamad Moosavi; Robert Wexler; Zhiling Zheng
err分享
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molSimplify 2.0: Improved Structure Generation for Automating Discovery in Inorganic Molecular and Reticular ChemistrymolSimplify 2.0：无机分子和晶格化学中发现自动化改进的结构生成
errJournal of Chemical Information and Modeling
IF5.3
err2026-02-01
err0
PREAI
errTerrones, Gianmarco G.; Michel, Roland G. St.; Toney, Jacob W.; Ball, Akash K.; Wang, Yiran; Garrison, Aaron G.; Nandy, Aditya; Meyer, Ralf; Edholm, Freya; Oh, Changhwan; Pujet, Sebastian G.; Chu, Daniel B. K.; Muhammetgulyyev, Davut; Kulik, Heather J.
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From pages to patterns: Towards extracting catalytic knowledge from structure and text for transition-metal complexes and metal-organic frameworks从页面到模式：面向从结构和文本中提取过渡金属配合物和金属有机框架的催化知识
errJOURNAL OF CATALYSIS
IF6.5
err2025-06-14
err0
errOAAI
errNandy, A
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Ligand Many-Body Expansion as a General Approach for Accelerating Transition Metal Complex Discovery配体多体膨胀是加速过渡金属络合物发现的一般方法
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2024-11-28
err0
PREAI
errChu, Daniel B. K.; Gonzalez-Narvaez, David A.; Meyer, Ralf; Nandy, Aditya; Kulik, Heather J.
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MOFs with the Stability for Practical Gas Adsorption Applications Require New Design Rules具有实际气体吸附应用稳定性的mof需要新的设计规则
errACS APPLIED MATERIALS & INTERFACES
IF8.2
err2024-10-04
err0
PREAI
errOh, Changhwan; Nandy, Aditya; Yue, Shuwen; Kulik, Heather J.
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Large-scale comparison of Fe and Ru polyolefin C-H activation catalysts
errJOURNAL OF CATALYSIS
IF6.5
err2024-03-01
err1
PREAI
errAdamji, Husain; Kevlishvili, Ilia; Nandy, Aditya; Roman-Leshkov, Yuriy; Kulik, Heather J.
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Computational Discovery of Codoped Single-Atom Catalysts for Methane-to-Methanol Conversion甲烷-甲醇转化共掺杂单原子催化剂的计算发现
errACS CATALYSIS
IF13.1
err2024-02-13
err1
PREAI
errJia, Haojun; Duan, Chenru; Kevlishvili, Ilia; Nandy, Aditya; Liu, Mingjie; Kulik, Heather J.
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Benchmarking nitrous oxide adsorption and activation in metal-organic frameworks bearing coordinatively unsaturated metal centers在带有配位不饱和金属中心的金属-有机框架中对一氧化二氮的吸附和活化进行基准测试
errJOURNAL OF MATERIALS CHEMISTRY C
IF5.1
err2024-01-01
err2
errOAAI
errPitt, Tristan A.; Jia, Haojun; Azbell, Tyler J.; Zick, Mary E.; Nandy, Aditya; Kulik, Heather J.; Milner, Phillip J.
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Protein3D: Enabling analysis and extraction of metal-containing sites from the Protein Data Bank with molSimplifyProtein3D: 使用molsimplies从蛋白质数据库中分析和提取含金属的位点
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2023-10-24
err3
errOAAI
errEdholm, Freya; Nandy, Aditya; Reinhardt, Clorice R.; Kastner, David W.; Kulik, Heather J.
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Assessing the performance of approximate density functional theory on 95 experimentally characterized Fe(II) spin crossover complexes在95个实验表征的Fe(II) 自旋交叉配合物上评估近似密度泛函理论的性能
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-07-11
err13
errOAAI
errVennelakanti, Vyshnavi; Taylor, Michael G.; Nandy, Aditya; Duan, Chenru; Kulik, Heather J.
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Computational Discovery of Stable Metal-Organic Frameworks for Methane-to-Methanol Catalysis甲烷制甲醇催化稳定金属有机框架的计算发现
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2023-06-20
err17
PREAI
errAdamji, Husain; Nandy, Aditya; Kevlishvili, Ilia; Roman-Leshkov, Yuriy; Kulik, Heather J.
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A database of ultrastable MOFs reassembled from stable fragments with machine learning models使用机器学习模型从稳定片段重新组装的超稳定mof数据库
errMATTER
IF17.5
err2023-05-01
err26
errOAAI
errNandy, Aditya; Yue, Shuwen; Oh, Changhwan; Duan, Chenru; Terrones, Gianmarco G.; Chung, Yongchul G.; Kulik, Heather J.
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Mechanistic Insights into Substrate Positioning That Distinguish Non-heme Fe(II)/α-Ketoglutarate-Dependent Halogenases and Hydroxylases区分非血红素Fe(II)/α-酮戊二酸依赖性卤化酶和羟化酶的底物定位的机理见解
errACS CATALYSIS
IF13.1
err2023-02-03
err19
PREAI
errKastner, David W.; Nandy, Aditya; Mehmood, Rimsha; Kulik, Heather J.
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Low-cost machine learning prediction of excited state properties of iridium-centered phosphors以铱为中心的荧光粉激发态性质的低成本机器学习预测
errCHEMICAL SCIENCE
IF7.4
err2023-01-01
err12
errOAAI
errTerrones, Gianmarco G.; Duan, Chenru; Nandy, Aditya; Kulik, Heather J.
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Effects of MOF linker rotation and functionalization on methane uptake and diffusionMOF连接基旋转和功能化对甲烷吸收和扩散的影响
errMOLECULAR SYSTEMS DESIGN & ENGINEERING
IF3.2
err2023-01-01
err11
errOAAI
errYue, Shuwen; Oh, Changhwan; Nandy, Aditya; Terrones, Gianmarco G.; Kulik, Heather J.
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A transferable recommender approach for selecting the best density functional approximations in chemical discovery在化学发现中选择最佳密度泛函近似的可转移推荐方法
errNATURE COMPUTATIONAL SCIENCE
IF18.3
err2022-12-22
err13
errOAAI
errDuan, Chenru; Nandy, Aditya; Meyer, Ralf; Arunachalam, Naveen; Kulik, Heather J.
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DFT-Based Multireference Diagnostics in the Solid State: Application to Metal-Organic Frameworks基于DFT的固态多参考诊断: 在金属有机框架中的应用
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-12-22
err8
PREAI
errCho, Yeongsu; Nandy, Aditya; Duan, Chenru; Kulik, Heather J.
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Active Learning Exploration of Transition-Metal Complexes to Discover Method-Insensitive and Synthetically Accessible Chromophores主动学习探索过渡金属配合物，以发现对方法不敏感且可合成的发色团
errJACS AU
IF8.7
err2022-12-01
err7
errOAAI
errDuan, Chenru; Nandy, Aditya; Terrones, Gianmarco G.; Kastner, David W.; Kulik, Heather J.
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Ligand additivity relationships enable efficient exploration of transition metal chemical space配体可加性关系可有效探索过渡金属化学空间
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-11-14
err12
errOAAI
errArunachalam, Naveen; Gugler, Stefan; Taylor, Michael G.; Duan, Chenru; Nandy, Aditya; Janet, Jon Paul; Meyer, Ralf; Oldenstaedt, Jonas; Chu, Daniel B. K.; Kulik, Heather J.
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Using Computational Chemistry To Reveal Nature's Blueprints for Single-Site Catalysis of C-H Activation使用计算化学揭示c-h活化的单中心催化的自然蓝图
errACS CATALYSIS
IF13.1
err2022-07-15
err30
PREAI
errNandy, Aditya; Adamji, Husain; Kastner, David W.; Vennelakanti, Vyshnavi; Nazemi, Azadeh; Liu, Mingjie; Kulik, Heather J.
err分享
err收藏

研究方向

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