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V

Valay Agarawal

Department of Chemistry

6H指数
34论文数
129被引数
收录论文 13
发表时间
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Multireference investigations of ethylene hydrogenation over bimetallic catalysts双金属催化剂上乙烯加氢的多参考研究
errnpj Computational Materials
IF11.9
err2026-08-12
err0
errOAAI
errRishu Khurana; Matthew R. Hermes; Valay Agarawal; Christopher Knight; Laura Gagliardi; Cong Liu
err分享
err收藏
Multireference Methods for Chemistry and Materials Science: Automated Active Spaces; Efficient Dynamic Correlation; and Extended Systems化学与材料科学中的多参考方法：自动化活性空间；高效动态关联；以及扩展系统
errChemical Reviews
IF55.8
err2026-04-03
err0
PREAI
errJacob J. Wardzala; Matthew R. Hennefarth; Valay Agarawal; Bhavnesh Jangid; Aniruddha Seal; Matthew R. Hermes; Daniel S. King; Laura Gagliardi
err分享
err收藏
Correction to “Multireference Embedding and Fragmentation Methods for Classical and Quantum Computers: From Model Systems to Realistic Applications”更正“用于经典和量子计算机的多参考嵌入和碎片化方法：从模型系统到实际应用”
errChemical Reviews
IF55.8
err2026-02-24
err0
PREAI
errShreya Verma; Abhishek Mitra; Qiaohong Wang; Ruhee D’Cunha; Bhavnesh Jangid; Matthew R. Hennefarth; Valay Agarawal; Leon Otis; Soumi Haldar; Matthew R. Hermes; Laura Gagliardi
err分享
err收藏
Multireference Embedding and Fragmentation Methods for Classical and Quantum Computers: From Model Systems to Realistic Applications经典和量子计算机的多参考嵌入和碎片化方法: 从模型系统到现实应用
errCHEMICAL REVIEWS
IF55.8
err2026-01-01
err0
PREAI
errVerma, Shreya; Mitra, Abhishek; Wang, Qiaohong; D'cunha, Ruhee; Jangid, Bhavnesh; Hennefarth, Matthew R.; Agarawal, Valay; Otis, Leon; Haldar, Soumi; Hermes, Matthew R.; Gagliardi, Laura
err分享
err收藏
Enabling Multireference Calculations on Multimetallic Systems with Graphic Processing Units利用图形处理单元实现多金属体系的多参考态计算
errJournal of Chemical Theory and Computation
IF5.5
err2025-07-17
err0
PREAI
errValay Agarawal; Rishu Khurana; Cong Liu; Matthew R. Hermes; Christopher Knight; Laura Gagliardi
err分享
err收藏
Exploring the Computational Aspects of Propylene Oligomerization Catalysis Using M′2M Type Trimetallic MOF Nodes
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2024-09-26
err0
PREAI
errKhurana, Rishu; Agarawal, Valay; Liu, Cong
err分享
err收藏
Distinguishing homolytic vs heterolytic bond dissociation of phenylsulfonium cations with localized active space methods
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-07-01
err0
PREAI
errWang, Qiaohong; Agarawal, Valay; Hermes, Matthew R.; Motta, Mario; Rice, Julia E.; Jones, Gavin O.; Gagliardi, Laura
err分享
err收藏
Automatic State Interaction with Large Localized Active Spaces for Multimetallic Systems
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-05-24
err5
errOAAI
errAgarawal, Valay; King, Daniel S.; Hermes, Matthew R.; Gagliardi, Laura
err分享
err收藏
A hybrid coupled cluster-machine learning algorithm: Development of various regression models and benchmark applications
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-01-03
err7
PREAI
errAgarawal, Valay; Roy, Samrendra; Shrawankar, Kapil K.; Ghogale, Mayank; Bharathi, S.; Yadav, Anchal; Maitra, Rahul
err分享
err收藏
An approximate coupled cluster theory via nonlinear dynamics and synergetics: The adiabatic decoupling conditions
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-09-29
err9
errOAAI
errAgarawal, Valay; Patra, Chayan; Maitra, Rahul
err分享
err收藏
Total Synthesis of the Meroterpenoid Manginoid A as Fueled by a Challenging Pinacol Coupling and Bicycle-forming Etherification通过具有挑战性的频哪醇偶联反应和形成自行车的醚化作用，合成了多萜类锰化合物A
errANGEWANDTE CHEMIE-INTERNATIONAL EDITION
IF16.9
err2021-04-06
err18
PREAI
errZhang, Yu-An; Milkovits, Amanda; Agarawal, Valay; Taylor, Cooper A.; Snyder, Scott A.
err分享
err收藏
Accelerating coupled cluster calculations with nonlinear dynamics and supervised machine learning
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-01-28
err14
errOAAI
errAgarawal, Valay; Roy, Samrendra; Chakraborty, Anish; Maitra, Rahul
err分享
err收藏
Stability analysis of a double similarity transformed coupled cluster theory
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-08-26
err7
errOAAI
errAgarawal, Valay; Chakraborty, Anish; Maitra, Rahul
err分享
err收藏

研究方向

暂时未获取到该数据
合作学者
合作期刊
L
Laura Gagliardi
H 指数: 97 · 论文数: 1.1K
J
Julia E. Rice
H 指数: 55 · 论文数: 146
刘聪 封面图
刘聪 (Cong Liu)
H 指数: 54 · 论文数: 406
S
Scott A. Snyder
H 指数: 51 · 论文数: 411
G
Gavin O. Jones
H 指数: 30 · 论文数: 77
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