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G. Gautam · SciRah

Researcher profile · Semantic Scholar

G. Gautam

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G. Gautam — researcher profile on SciRah

h-index: 22
Works: 71
Citations: 2,323

Most-cited papers

Materials Design Rules for Multivalent Ion Mobility in Intercalation Structures
Zi-Qin Rong, R. Malik, P. Canepa, G. Gautam +4 more
2015519 citations
Semantic Scholar
Factors Governing Oxygen Vacancy Formation in Oxide Perovskites.
R. Wexler, G. Gautam, E. Stechel, E. Carter
2021Journal of the American Chemical Society198 citations Open access
Semantic Scholar
The Intercalation Phase Diagram of Mg in V2O5 from First-Principles
G. Gautam, P. Canepa, A. Abdellahi, A. Urban +2 more
2015142 citations Open access
Semantic Scholar
First-principles evaluation of multi-valent cation insertion into orthorhombic V2O5.
G. Gautam, P. Canepa, R. Malik, Miao Liu +2 more
2015Chemical Communications142 citations Open access
Semantic Scholar
Fundamental investigations on the sodium-ion transport properties of mixed polyanion solid-state battery electrolytes
Ze-Yu Deng, Tara P. Mishra, Eunike Mahayoni, Qian-Li Ma +8 more
2022Nature Communications129 citations Open access
Semantic Scholar
Elucidating the structure of the magnesium aluminum chloride complex electrolyte for magnesium-ion batteries
P. Canepa, S. Jayaraman, Lei Cheng, N. Rajput +5 more
2015110 citations Open access
Semantic Scholar
Understanding the Initial Stages of Reversible Mg Deposition and Stripping in Inorganic Nonaqueous Electrolytes
P. Canepa, G. Gautam, R. Malik, S. Jayaraman +4 more
2015107 citations Open access
Semantic Scholar
Structural Evolution of Reversible Mg Insertion into a Bilayer Structure of V2O5·nH2O Xerogel Material
Ni-Ya Sa, T. Kinnibrugh, Hao Wang, G. Gautam +11 more
2016104 citations
Semantic Scholar
Advancing MXene Electrocatalysts for Energy Conversion Reactions: Surface, Stoichiometry, and Stability
Constantine Tsounis, Priyank V. Kumar, Hassan Masood, R. Kulkarni +4 more
2022Angewandte Chemie102 citations Open access
Semantic Scholar
Particle Morphology and Lithium Segregation to Surfaces of the Li7La3Zr2O12 Solid Electrolyte
P. Canepa, James A. Dawson, G. Gautam, Joel M. Statham +2 more
2018100 citations Open access
Semantic Scholar
Influence of Inversion on Mg Mobility and Electrochemistry in Spinels
G. Gautam, P. Canepa, A. Urban, Shou‐Hang Bo +1 more
201785 citations Open access
Semantic Scholar
Role of Point Defects in Spinel Mg Chalcogenide Conductors
P. Canepa, G. Gautam, Danny Broberg, Shou‐Hang Bo +1 more
201779 citations Open access
Semantic Scholar
First-Principles Study of the Voltage Profile and Mobility of Mg Intercalation in a Chromium Oxide Spinel
Tina Chen, G. Gautam, Wen-Xuan Huang, G. Ceder
201860 citations Open access
Semantic Scholar
Parametric Study of a Commercial-Scale Biomass Downdraft Gasifier: Experiments and Equilibrium Modeling
G. Gautam
201039 citations
Semantic Scholar
Estimation of Biomass Synthesis Gas Composition using Equilibrium Modeling
G. Gautam, S. Adhikari, S. Bhavnani
201034 citations
Semantic Scholar
Stabilizing Multi‐Electron NASICON‐Na1.5V0.5Nb1.5(PO4)3 Anode via Structural Modulation for Long‐Life Sodium‐Ion Batteries
Biplab Patra, Rashmi Hegde, Anirudh Natarajan, Debolina Deb +5 more
2024Advanced Energy Materials32 citations
Semantic Scholar
The Resistive Nature of Decomposing Interfaces of Solid Electrolytes with Alkali Metal Electrodes
Juefan Wang, Abhishek A. Panchal, G. Gautam, P. Canepa
2022Journal of Materials Chemistry A28 citations Open access
Semantic Scholar
Phase Stability and Sodium-Vacancy Orderings in a NaSICON Electrode
Zi-Liang Wang, Sunkyu Park, Ze-Yu Deng, D. Carlier +6 more
2021Journal of Materials Chemistry A28 citations Open access
Semantic Scholar
Roadmap on multivalent batteries
M. Palacín, P. Johansson, R. Dominko, Ben Dlugatch +37 more
2024Journal of Physics: Energy27 citations Open access
Semantic Scholar
Impact of intermediate sites on bulk diffusion barriers: Mg intercalation in Mg2Mo3O8
G. Gautam, Xiao-Qi Sun, V. Duffort, L. Nazar +1 more
201627 citations Open access
Semantic Scholar
Searching Ternary Oxides and Chalcogenides as Positive Electrodes for Calcium Batteries
Wang Lu, Juefan Wang, G. Gautam, P. Canepa
2021Chemistry of Materials26 citations Open access
Semantic Scholar
Tar analysis in syngas derived from pelletized biomass in a commerical stratified downdraft gasifier
G. Gautam, S. Adhikari, S. Thangalazhy‐Gopakumar, C. Brodbeck +2 more
2011BioResources24 citations Open access
Semantic Scholar
Kinetic Monte Carlo Simulations of Sodium Ion Transport in NaSICON Electrodes
Zi-Liang Wang, Tara P. Mishra, Wei-yang Xie, Ze-Yu Deng +3 more
2023ACS Materials Letters19 citations
Semantic Scholar
Optimizing kesterite solar cells from Cu2ZnSnS4 to Cu2CdGe(S,Se)4
R. Wexler, G. Gautam, E. Carter
2021Journal of Materials Chemistry A19 citations Open access
Semantic Scholar
Computational analysis and identification of battery materials
F. Meutzner, T. Nestler, M. Zschornak, P. Canepa +6 more
2018Physical Sciences Reviews18 citations Open access
Semantic Scholar
Exchange-correlation functional challenges in modeling quaternary chalcogenides
R. Wexler, G. Gautam, E. Carter
202014 citations Open access
Semantic Scholar
kMCpy: A python package to simulate transport properties in solids with kinetic Monte Carlo
Ze-Yu Deng, Tara P. Mishra, Wei-yang Xie, Daanyal Ahmed Saeed +2 more
2023Computational materials science12 citations Open access
Semantic Scholar
Design and Characterization of Host Frameworks for Facile Magnesium Transport
Yirong Gao, Tara P. Mishra, Shou‐Hang Bo, G. Gautam +1 more
2022Annual review of materials research (Print)12 citations
Semantic Scholar
Understanding the interplay of defects, oxygen, and strain in 2D materials for next-generation optoelectronics
Keerthana S. Kumar, Ajit Kumar Dash, Hasna Sabreen H, Manvi Verma +5 more
20242D Materials10 citations Open access
Semantic Scholar
A monolithic hybrid finite element strategy for nonlinear thermoelasticity
C. Jog, G. Gautam
201710 citations
Semantic Scholar
Synergistic effect on electrochemical performance of LiFePO4 cathodes via carbon coating and Ni2+ doping: a combined experimental and theoretical approach
Shrey Kashyap, C. Gowthami, Sougat Purohit, G. Gautam +4 more
2025Journal of Electroanalytical Chemistry9 citations
Semantic Scholar
Fluoride Frameworks as Potential Calcium Battery Cathodes
Dereje Bekele Tekliye, G. Gautam
2024Journal of Materials Chemistry A6 citations Open access
Semantic Scholar
Defective Nanoporous Zinc Cobaltite as a Potential Bifunctional Oxygen Electrocatalyst
G. R. Dillip, G. K. Kiran, Abhishek Bharti, Tanmay Mohan Bhagwat +2 more
2022ACS Applied Energy Materials6 citations
Semantic Scholar
Gasification of Wood Chips, Agricultural Residues, and Waste in a Commercial Downdraft Gasifier
G. Gautam, S. Adhikari, C. Brodbeck, S. Bhavnani +2 more
20116 citations
Semantic Scholar
Decoding MnO2 redox chemistry from mechanistic ambiguity to design principles for aqueous Zn-ion batteries
Y. Shang, Sankhadip Saha, Haotian Wen, Qihui Zhang +12 more
2026Nature Communications5 citations Open access
Semantic Scholar
Accuracy of metaGGA functionals in describing transition metal fluorides
Dereje Bekele Tekliye, G. Gautam
2024PHYSICAL REVIEW MATERIALS5 citations Open access
Semantic Scholar
Thermodynamics of Sodium–Lead Alloys for Negative Electrodes from First-Principles
Damien K. J. Lee, Zeyu Deng, G. Gautam, P. Canepa
2024Chemistry of Materials5 citations Open access
Semantic Scholar
Deuterium addition to liquid Li–Sn alloys: implications for plasma-facing applications
B. G. del Rio, G. Gautam, E. Carter
2019Nuclear Fusion5 citations Open access
Semantic Scholar
A new high voltage alluaudite sodium battery insertion material
P. Barman, P. K. Jha, A. Chaupatnaik, K. Jayanthi +5 more
2023Materials Today Chemistry4 citations Open access
Semantic Scholar
Experimental and Computational Demonstration of In Situ Pt Nanocluster-Decorated ZnO Film for Ultra-Sensitive Hydrogen Detection
P. Ghosh, P. Ghosh, Rizwin Khanam, C. S. Prajapati +6 more
2025ACS Applied Nano Materials3 citations Open access
Semantic Scholar
Exploration of Oxyfluoride Frameworks as Na-ion Cathodes
Debolina Deb, G. Gautam
2024Chemistry of Materials3 citations Open access
Semantic Scholar
CHAPTER 4. Theoretical Modelling of Multivalent Ions in Inorganic Hosts
G. Gautam, P. Canepa
2019Energy and Environment Series3 citations
Semantic Scholar
Multi-objective optimization and quantum hybridization of equivariant deep learning interatomic potentials on organic and inorganic compounds
G. Laskaris, D. Morozov, D. Tarpanov, A. Seth +5 more
2026Computational materials science2 citations Open access
Semantic Scholar
Evaluation of Foundational Machine Learned Interatomic Potentials for Migration Barrier Predictions
Achinthya Krishna Bheemaguli, Penghao Xiao, G. Gautam
2025Digital Discovery2 citations Open access
Semantic Scholar
Theoretical and Experimental Studies of ion Transport in Mixed Polyanion Solid Electrolytes
Ze-Yu Deng, Tara P. Mishra, Eunike Mahayoni, Qianli Ma +7 more
2021Proceedings of the Materials for Sustainable Development Conference (MAT-SUS)2 citations Open access
Semantic Scholar
The concept of Viscous Material (Chocolate) 3D Printer/ Food 3D Printer
Rajeev Satsangi, Himanshu Singh, Guru Ratan Satsangee, Sarthak Agrawal +2 more
20182 citations
Semantic Scholar
Probing Structure and Ionic Transport in Molten Lithium Carbonate
Debsundar Dey, Abhirup Patra, A. Krishnamoorthy, G. Gautam
2026ACS Applied Energy Materials1 citations Open access
Semantic Scholar
First-principles investigation of Sr-Ce-M-O perovskites for solar thermochemical water splitting
Sachin Kumar, P. Ghosh, G. Gautam
20251 citations
Semantic Scholar
Author Correction: Fundamental investigations on the sodium-ion transport properties of mixed polyanion solid-state battery electrolytes
Ze-Yu Deng, Tara P. Mishra, Eunike Mahayoni, Qian-Li Ma +8 more
2022Nature Communications1 citations Open access
Semantic Scholar
Investigating Barriers to Mg Intercalation in Oxide Spinel Cathodes through First-Principles Calculations
Tina Chen, G. Gautam, Wen-Xuan Huang, G. Ceder
20171 citations
Semantic Scholar

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Tara P. Mishra×6
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