Rajeev S Assary

ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 30

Top Venues

ACS applied materials & interfaces

Nature communications

The journal of physical chemistry. A

Journal of chemical information and modeling

The University of Manchester (PHD)

This page only lists publications with an associated author ORCID identifier.

Education History

The University of Manchester Oct 01 2001 - Jan 28 2005

United Kingdom

PHD :: School of Chemistry

Publications

Andrew S Lee, Sarah N Elliott, Hassan Harb, Logan Ward, Ian Foster, Larry A Curtiss, Rajeev S Assary
E min : A First-Principles Thermochemical Descriptor for Predicting Molecular Synthesizability. Journal of chemical information and modeling (2024)
Juran Noh, Hieu A Doan, Heather Job, Lily A Robertson, Lu Zhang, Rajeev S Assary, Karl T Mueller, Vijayakumar Murugesan, Yangang Liang
An integrated high-throughput robotic platform and active learning approach for accelerated discovery of optimal electrolyte formulations. Nature communications 15 (1) (2024)
Juran Noh, Hieu A Doan, Heather Job, Lily A Robertson, Lu Zhang, Rajeev S Assary, Karl T Mueller, Vijayakumar Murugesan, Yangang Liang
Publisher Correction: An integrated high-throughput robotic platform and active learning approach for accelerated discovery of optimal electrolyte formulations. Nature communications 15 (1) (2024)
Juran Noh, Hieu A Doan, Heather Job, Lily A Robertson, Lu Zhang, Rajeev S Assary, Karl T Mueller, Vijayakumar Murugesan, Yangang Liang
An integrated high-throughput robotic platform and active learning approach for accelerated discovery of optimal electrolyte formulations. Nature communications 15 (1) (2024)
Juran Noh, Hieu A Doan, Heather Job, Lily A Robertson, Lu Zhang, Rajeev S Assary, Karl T Mueller, Vijayakumar Murugesan, Yangang Liang
An integrated high-throughput robotic platform and active learning approach for accelerated discovery of optimal electrolyte formulations. Nature communications 15 (1) (2024)
Xiaolin Liu, Hao Yang, Hassan Harb, Rajarshi Samajdar, Toby J Woods, Oliver Lin, Qian Chen, Adolfo I B Romo, Joaquín Rodríguez-López, Rajeev S Assary, Jeffrey S Moore, Charles M Schroeder
Shape-persistent ladder molecules exhibit nanogap-independent conductance in single-molecule junctions. Nature chemistry (2024)
Andrew S Lee, Sarah N Elliott, Hassan Harb, Logan Ward, Ian Foster, Larry A Curtiss, Rajeev S Assary
E min : A First-Principles Thermochemical Descriptor for Predicting Molecular Synthesizability. Journal of chemical information and modeling 64 (4) (2024)
Juran Noh, Hieu A Doan, Heather Job, Lily A Robertson, Lu Zhang, Rajeev S Assary, Karl T Mueller, Vijayakumar Murugesan, Yangang Liang
An integrated high-throughput robotic platform and active learning approach for accelerated discovery of optimal electrolyte formulations. Nature communications 15 (1) (2024)
Juran Noh, Hieu A Doan, Heather Job, Lily A Robertson, Lu Zhang, Rajeev S Assary, Karl T Mueller, Vijayakumar Murugesan, Yangang Liang
An integrated high-throughput robotic platform and active learning approach for accelerated discovery of optimal electrolyte formulations. Nature communications 15 (1) (2024)
Juran Noh, Hieu A Doan, Heather Job, Lily A Robertson, Lu Zhang, Rajeev S Assary, Karl T Mueller, Vijayakumar Murugesan, Yangang Liang
Publisher Correction: An integrated high-throughput robotic platform and active learning approach for accelerated discovery of optimal electrolyte formulations. Nature communications 15 (1) (2024)
Andrew S Lee, Sarah N Elliott, Hassan Harb, Logan Ward, Ian Foster, Larry A Curtiss, Rajeev S Assary
E min : A First-Principles Thermochemical Descriptor for Predicting Molecular Synthesizability. Journal of chemical information and modeling 64 (4) (2024)
Andrew S Lee, Sarah N Elliott, Hassan Harb, Logan Ward, Ian Foster, Larry A Curtiss, Rajeev S Assary
E min : A First-Principles Thermochemical Descriptor for Predicting Molecular Synthesizability. Journal of chemical information and modeling 64 (4) (2024)
Naveen K Dandu, Logan Ward, Rajeev S Assary, Paul C Redfern, Larry A Curtiss
Accurate Prediction of Adiabatic Ionization Potentials of Organic Molecules using Quantum Chemistry Assisted Machine Learning. The journal of physical chemistry. A (2023)
Ksenija D Glusac, Sydney N Lavan, Noel J Leon, Haoyu Liu, Akash Jain, Baris Key, Rajeev S Assary, Chen Liao, Justin G Connell
Mixed-Anion Contact Ion-Pair Formation Enabling Improved Performance of Halide-Free Mg-Ion Electrolytes. ACS applied materials & interfaces 16 (1) (2023)
Akash Jain, Ilya A Shkrob, Hieu A Doan, Keir Adams, Jeffrey S Moore, Rajeev S Assary
Active Learning Guided Computational Discovery of Plant-Based Redoxmers for Organic Nonaqueous Redox Flow Batteries. ACS applied materials & interfaces (2023)
Venkateshkumar Prabhakaran, Garvit Agarwal, Jason D Howard, Sungun Wi, Vaithiyalingam Shutthanandan, Dan-Thien Nguyen, Luke Soule, Grant E Johnson, Yi-Sheng Liu, Feipeng Yang, Xuefei Feng, Jinghua Guo, Kie Hankins, Larry A Curtiss, Karl T Mueller, Rajeev S Assary, Vijayakumar Murugesan
Coordination-Dependent Chemical Reactivity of TFSI Anions at a Mg Metal Interface. ACS applied materials & interfaces (2023)
Ksenija D Glusac, Sydney N Lavan, Noel J Leon, Haoyu Liu, Akash Jain, Baris Key, Rajeev S Assary, Chen Liao, Justin G Connell
Mixed-Anion Contact Ion-Pair Formation Enabling Improved Performance of Halide-Free Mg-Ion Electrolytes. ACS applied materials & interfaces (2023)
Venkateshkumar Prabhakaran, Garvit Agarwal, Jason D Howard, Sungun Wi, Vaithiyalingam Shutthanandan, Dan-Thien Nguyen, Luke Soule, Grant E Johnson, Yi-Sheng Liu, Feipeng Yang, Xuefei Feng, Jinghua Guo, Kie Hankins, Larry A Curtiss, Karl T Mueller, Rajeev S Assary, Vijayakumar Murugesan
Coordination-Dependent Chemical Reactivity of TFSI Anions at a Mg Metal Interface. ACS applied materials & interfaces 15 (5) (2023)
Sina Rastegar, Alireza Ahmadiparidari, Sachin Kumar Singh, Chengji Zhang, Zahra Hemmat, Naveen K Dandu, Michael J Counihan, Maryam Bagheri, Tomas Rojas, Leily Majidi, Shuxi Wang, Ahmad Jaradat, Rajeev S Assary, Paul C Redfern, Parisa Mirbood, Sanja Tepavcevic, Arunkumar Subramanian, Anh T Ngo, Larry A Curtiss, Amin Salehi-Khojin
A KMnO 4 -Generated Colloidal Electrolyte for Redox Mediation and Anode Protection in a Li-Air Battery. ACS nano 16 (11) (2022)
Sambasiva R Bheemireddy, Zhiguang Li, Jingjing Zhang, Garvit Agarwal, Lily A Robertson, Ilya A Shkrob, Rajeev S Assary, Zhengcheng Zhang, Xiaoliang Wei, Lei Cheng, Lu Zhang
Fluorination Enables Simultaneous Improvements of a Dialkoxybenzene-Based Redoxmer for Nonaqueous Redox Flow Batteries. ACS applied materials & interfaces 14 (25) (2022)
Naveen K Dandu, Rajeev S Assary, Paul C Redfern, Logan Ward, Ian Foster, Larry A Curtiss
Improving the Accuracy of Composite Methods: A G4MP2 Method with G4-like Accuracy and Implications for Machine Learning. The journal of physical chemistry. A 126 (27) (2022)
Morgan M Cencer, Chenyang Li, Garvit Agarwal, Reginaldo Jose Gomes Neto, Chibueze V Amanchukwu, Rajeev S Assary
Interactions of CO 2 Anion Radicals with Electrolyte Environments from First-Principles Simulations. ACS omega 7 (21) (2022)
Logan Ward, Naveen K Dandu, Ben Blaiszik, Badri Narayanan, Rajeev S Assary, Paul C Redfern, Ian Foster, Larry A Curtiss
Graph-Based Approaches for Predicting Solvation Energy in Multiple Solvents: Open Datasets and Machine Learning Models. The journal of physical chemistry. A 125 (27) (2021)
Garvit Agarwal, Jason D Howard, Venkateshkumar Prabhakaran, Grant E Johnson, Vijayakumar Murugesan, Karl T Mueller, Larry A Curtiss, Rajeev S Assary
Insights into Spontaneous Solid Electrolyte Interphase Formation at Magnesium Metal Anode Surface from Ab Initio Molecular Dynamics Simulations. ACS applied materials & interfaces 13 (32) (2021)
Justin G Connell, Milena Zorko, Garvit Agarwal, Mengxi Yang, Chen Liao, Rajeev S Assary, Dusan Strmcnik, Nenad M Markovic
Anion Association Strength as a Unifying Descriptor for the Reversibility of Divalent Metal Deposition in Nonaqueous Electrolytes. ACS applied materials & interfaces 12 (32) (2020)
Ilya A Shkrob, Tao Li, Erik Sarnello, Lily A Robertson, Yuyue Zhao, Hossam Farag, Zhou Yu, Jingjing Zhang, Sambasiva R Bheemireddy, Yang Zhang, Rajeev S Assary, Randy H Ewoldt, Lei Cheng, Lu Zhang
Self-Assembled Solute Networks in Crowded Electrolyte Solutions and Nanoconfinement of Charged Redoxmer Molecules. The journal of physical chemistry. B 124 (45) (2020)
Yuyue Zhao, Erik S Sarnello, Lily A Robertson, Jingjing Zhang, Zhangxing Shi, Zhou Yu, Sambasiva R Bheemireddy, Yang Zhang, Tao Li, Rajeev S Assary, Lei Cheng, Zhengcheng Zhang, Lu Zhang, Ilya A Shkrob
Competitive Pi-Stacking and H-Bond Piling Increase Solubility of Heterocyclic Redoxmers. The journal of physical chemistry. B 124 (46) (2020)
Naveen K Dandu, Logan Ward, Rajeev S Assary, Paul C Redfern, Badri Narayanan, Ian T Foster, Larry A Curtiss
Quantum-Chemically Informed Machine Learning: Prediction of Energies of Organic Molecules with 10 to 14 Non-hydrogen Atoms. The journal of physical chemistry. A 124 (28) (2020)
Avik Halder, Anh T Ngo, Xiangyi Luo, Hsien-Hau Wang, Jianguo Wen, Pedram Abbasi, Mohammad Asadi, Chengji Zhang, Dean Miller, Dongzhou Zhang, Jun Lu, Paul C Redfern, Kah Chun Lau, Rachid Amine, Rajeev S Assary, Yun Jung Lee, Amin Salehi-Khojin, Štefan Vajda, Khalil Amine, Larry A Curtiss
In Situ Formed Ir3Li Nanoparticles as Active Cathode Material in Li-Oxygen Batteries. The journal of physical chemistry. A 123 (46) (2019)
Minjeong Shin, Heng-Liang Wu, Badri Narayanan, Kimberly A See, Rajeev S Assary, Lingyang Zhu, Richard T Haasch, Shuo Zhang, Zhengcheng Zhang, Larry A Curtiss, Andrew A Gewirth
Effect of the Hydrofluoroether Cosolvent Structure in Acetonitrile-Based Solvate Electrolytes on the Li+ Solvation Structure and Li-S Battery Performance. ACS applied materials & interfaces 9 (45) (2017)

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Publication Activity (10 Years)

Top Topics

Top Venues

Rajeev S Assary