VV
Venkatasubramanian Viswanathan
cond-mat.mtrl-sciphysics.chem-phcs.LGphysics.app-phphysics.flu-dyncs.SYeess.SYcond-mat.mes-hallphysics.comp-phbatteries
On Valency
published · living versionsW_ne2hn3zb·v1 · currentpublished
Quantifying Confidence in DFT Predicted Surface Pourbaix Diagrams and Associated Reaction Pathways for Chlorine Evolution
with Vaidish Sumaria, Dilip Krishnamurthy
1 version
W_m2c5ccss·v1published
Preprints & journals
138 papers in the corpus · 2009–2026Differentiable Solvation Shell Model for Rational Electrolyte Design2609.05671v1 · Hancheng Zhao, Hongyi Lin, Celia Kelly et al.2026 · 0 citationsarXiv
Experiment-as-Code Labs: A Declarative Stack for AI-Driven Scientific Discovery2605.04375v2 · Zhenning Yang, Yuhan Chen, Patrick Tser Jern Kon et al.2026 · 0 citationsarXiv
CLOUD: A Scalable and Physics-Informed Foundation Model for Crystal Representation Learning.41844595 · Xu, Changwen, Zhu, Shang, Viswanathan, Venkatasubramanian2026 · 3 citationsNature communications. 2026;17(1)
Adaptive Voiding Enables Interfacial Morphological Control at Low Stack Pressure in Solid-State Batteries10.26434/chemrxiv.15000881/v2 · Vijay D Veeraraghavan, Chiung-Yuan Lo, Andrew B Li et al.2026 · 0 citationsChemRxiv
Tokenization for Molecular Foundation Models.41575906 · Wadell, Alexius, Bhutani, Anoushka, Viswanathan, Venkatasubramanian2026 · 5 citationsJournal of chemical information and modeling. 2026;66(3):1384-1393
SALSA: A low-cost self-driving lab for salt solubility assessment for battery electrolytes10.26434/chemrxiv-2025-17lfp · Tianyi Zhang, Hongyi Lin, Yuhan Chen et al.2025 · 0 citationsChemRxiv
Differentiable Electrochemistry: A paradigm for uncovering hidden physical phenomena in electrochemical systems2511.11631v1 · Haotian Chen, Chenyang Huang, Alexander Rodr'iguez et al.2025 · 0 citationsarXiv
Foundation Models for Discovery and Exploration in Chemical Space2510.18900v2 · Alexius Wadell, Anoushka Bhutani, Victor Azumah et al.2025 · 2 citationsarXiv
Stability and Structure of Binary Metal Hydrides under Pressure, Electrochemical Potential and Combined Pressure-Electrochemistry2509.22722v2 · Mgcini Keith Phuthi, Pin-Wen Guan, Russell J. Hemley et al.2025 · 0 citationsarXiv
ElyteOS: Software for Automated Electrolyte Preparation, Measurement, and Data Management10.26434/chemrxiv-2025-6wq3x · Yuhan Chen, Hongyi Lin, Tianyi Zhang et al.2025 · 0 citationsChemRxiv
DREAMS: Density Functional Theory Based Research Engine for Agentic Materials Simulation2507.14267v2 · Ziqi Wang, Hongshuo Huang, Hancheng Zhao et al.2025 · 11 citationsarXiv
Fundamental Limits of Dissociative Electrochemical Ammonia Synthesis via Electrodeposited Metals2507.21121v1 · Victor Azumah, Venkatasubramanian Viswanathan2025 · 0 citationsarXiv
ChemBERTa-3: An Open Source Training Framework for Chemical Foundation Models10.26434/chemrxiv-2025-4glrl-v2 · Riya Singh, Aryan Amit Barsainyan, Rida Irfan et al.2025 · 28 citationsChemRxiv
Fast data augmentation for battery degradation prediction2503.13552v1 · Weihan Li, Harshvardhan Samsukha, Bruis van Vlijmen et al.2025 · 8 citationsarXiv
Learning second-order TVD flux limiters using differentiable solvers2503.09625v1 · Chenyang Huang, Amal S. Sebastian, Venkatasubramanian Viswanathan2025 · 0 citationsarXiv
Excess density as a descriptor for electrolyte solvent design.39927541 · Kelly, Celia, Annevelink, Emil, Dave, Adarsh et al.2025 · 1 citationThe Journal of chemical physics. 2025;162(6)
Formation Accelerated Stress Test (FAST): A New Technique to Study Anode Passivation in Lithium-ion Cells using Differential Capacity, Low Salt Concentration and Low Temperature.10.26434/chemrxiv-2025-kb9l7 · Roby Gauthier, Hongyi Lin, Haotian Chen et al.2025 · 0 citationsChemRxiv
Proton Donors Influence Nitrogen Adsorption in Lithium-Mediated Electrochemical Ammonia Synthesis10.26434/chemrxiv-2024-vd8j0 · Victor Azumah, Lance Kavalsky, Venkatasubramanian Viswanathan2024 · 3 citationsChemRxiv
Differentiable modeling and optimization of non-aqueous Li-based battery electrolyte solutions using geometric deep learning.39369004 · Zhu, Shang, Ramsundar, Bharath, Annevelink, Emil et al.2026 · 40 citationsNature communications. 2024;15(1):8649
Electrowinning for Room-Temperature Ironmaking: Mapping the Electrochemical Aqueous Iron Interface.39257548 · Kavalsky, Lance, Viswanathan, Venkatasubramanian2026 · 11 citationsThe journal of physical chemistry. C, Nanomaterials and interfaces. 2024;128(35):14611-14620
Controlling moving interfaces in solid state batteries2408.03175v1 · Salem Mosleh, Emil Annevelink, Venkatasubramanian Viswanathan et al.2024 · 4 citationsarXiv
Automatic Generation of Chemical Mechanisms for Electrochemical Systems: Solid Electrolyte Interphase Formation in Lithium Batteries10.26434/chemrxiv-2024-plzrv · Matthew Johnson, David Farina, Lance Kavalsky et al.2024 · 6 citationsChemRxiv
Modeling Scanning Electrochemical Cell Microscopy (SECCM) in Twisted Bilayer Graphene.38995158 · Babar, Mohammad, Viswanathan, Venkatasubramanian2024 · 3 citationsThe journal of physical chemistry letters. 2024;15(29):7371-7378
Self-supervised Pretraining for Partial Differential Equations2407.06209v1 · Varun Madhavan, Amal S Sebastian, Bharath Ramsundar et al.2024 · 0 citationsarXiv
Vibrational Entropy and Free Energy of Solid Lithium using Covariance of Atomic Displacements Enabled by Machine Learning2406.15491v1 · Mgcini Keith Phuthi, Yang Huang, Michael Widom et al.2024 · 3 citationsarXiv
Twisto-Electrochemical Activity Volcanoes in Trilayer Graphene.38829312 · Babar, Mohammad, Zhu, Ziyan, Kurchin, Rachel et al.2024 · 5 citationsJournal of the American Chemical Society. 2024;146(23):16105-16111
Accurate Surface and Finite-Temperature Bulk Properties of Lithium Metal at Large Scales Using Machine Learning Interaction Potentials.38463274 · Phuthi, Mgcini Keith, Yao, Archie Mingze, Batzner, Simon et al.2026 · 22 citationsACS omega. 2024;9(9):10904-10912
Open-Circuit Voltage Models Should Be Thermodynamically Consistent.38266766 · Yao, Archie Mingze, Viswanathan, Venkatasubramanian2024 · 16 citationsThe journal of physical chemistry letters. 2024;15(4):1143-1151
Open-Source Fermionic Neural Networks with Ionic Charge Initialization2401.10287v1 · Shai Pranesh, Shang Zhu, Venkat Viswanathan et al.2024 · 0 citationsarXiv
Differentiable Modeling and Optimization of Battery Electrolyte Mixtures Using Geometric Deep Learning2310.03047v2 · Shang Zhu, Bharath Ramsundar, Emil Annevelink et al.2023 · 0 citationsarXiv
Open Source Infrastructure for Differentiable Density Functional Theory2309.15985v1 · Advika Vidhyadhiraja, Arun Pa Thiagarajan, Shang Zhu et al.2023 · 0 citationsarXiv
Statistical methods for resolving poor uncertainty quantification in machine learning interatomic potentials2308.15653v1 · Emil Annevelink, Venkatasubramanian Viswanathan2023 · 3 citationsarXiv
Nonequilibrium Electrochemical Phase Maps: Beyond Butler-Volmer Kinetics.37616522 · Kurchin, Rachel C, Gandhi, Dhairya, Viswanathan, Venkatasubramanian2023 · 8 citationsThe journal of physical chemistry letters. 2023;14(35):7802-7807
Generalizable data-driven turbulence closure modeling on unstructured grids with differentiable physics2307.13533v3 · Hojin Kim, Varun Shankar, Venkatasubramanian Viswanathan et al.2023 · 6 citationsarXiv
Differentiable Turbulence: Closure as a partial differential equation constrained optimization2307.03683v2 · Varun Shankar, Dibyajyoti Chakraborty, Venkatasubramanian Viswanathan et al.2023 · 22 citationsarXiv
Improved Environmental Chemistry Property Prediction of Molecules with Graph Machine Learning10.26434/chemrxiv-2023-8c62c · Shang Zhu, Bichlien H. Nguyen, Yingce Xia et al.2023 · 15 citationsChemRxiv
A battery dataset for electric vertical takeoff and landing aircraft.37268626 · Bills, Alexander, Sripad, Shashank, Fredericks, Leif et al.2023 · 76 citationsScientific data. 2023;10(1):344
Chemellia: An Ecosystem for Atomistic Scientific Machine Learning2305.12010v1 · Anant Thazhemadam, Dhairya Gandhi, Venkatasubramanian Viswanathan et al.2023 · 0 citationsarXiv
Anomalous Interfacial Electron-Transfer Kinetics in Twisted Trilayer Graphene Caused by Layer-Specific Localization.37396866 · Zhang, Kaidi, Yu, Yun, Carr, Stephen et al.2023 · 17 citationsACS central science. 2023;9(6):1119-1128
A Multiobjective Closed-loop Approach Towards Autonomous Discovery of Electrocatalysts for Nitrogen Reduction10.26434/chemrxiv-2023-vmbt3-v2 · Lance Kavalsky, Vinay Hegde, Bryce Meredig et al.2023 · 19 citationsChemRxiv
Importance of equivariant and invariant symmetries for fluid flow modeling2307.05486v1 · Varun Shankar, Shivam Barwey, Zico Kolter et al.2023 · 2 citationsarXiv
The Emerging Layered Hydroxide Plates with Record Thickness for Enhanced High-Mass-Loading Energy Storage.36802104 · Guo, Wei, Dun, Chaochao, Marcus, Matthew A et al.2023 · 26 citationsAdvanced materials (Deerfield Beach, Fla.). 2023;35(19):e2211603
Multiscale Graph Neural Network Autoencoders for Interpretable Scientific Machine Learning2302.06186v3 · Shivam Barwey, Varun Shankar, Venkatasubramanian Viswanathan et al.2023 · 39 citationsarXiv
Localized Recrystallization of a Lithium-Metal Anode during Fast Stripping in High-Activity Liquid Electrolytes.36716351 · Zhu, Shang, Hong, Zijian, Ahmad, Zeeshan et al.2023 · 11 citationsACS applied materials & interfaces. 2023;15(5):6639-6646
By how much can closed-loop frameworks accelerate computational materials discovery?2211.10533v2 · Lance Kavalsky, Vinay I. Hegde, Eric Muckley et al.2022 · 23 citationsarXiv
Reversible Alkaline Hydrogen Evolution and Oxidation Reactions Using Ni–Mo Catalysts Supported on Carbon10.26434/chemrxiv-2022-dc2zn · Rituja Patil, Manjodh Kaur, Stephen House et al.2022 · 6 citationsChemRxiv
Autonomous optimization of non-aqueous Li-ion battery electrolytes via robotic experimentation and machine learning coupling.36167832 · Dave, Adarsh, Mitchell, Jared, Burke, Sven et al.2022 · 209 citationsNature communications. 2022;13(1):5454
Differentiable physics-enabled closure modeling for Burgers' turbulence2209.11614v1 · Varun Shankar, Vedant Puri, Ramesh Balakrishnan et al.2022 · 16 citationsarXiv
Activity-Modulated Localized Recrystallization during Lithium Stripping at the Electrode-Electrolyte Interface10.26434/chemrxiv-2022-rt3cx · Shang Zhu, Zijian Hong, Zeeshan Ahmad et al.2022 · 0 citationsChemRxiv
Direct correlation between void formation and lithium dendrite growth in solid-state electrolytes with interlayers.35655030 · Raj, Vikalp, Venturi, Victor, Kankanallu, Varun R et al.2022 · 234 citationsNature materials. 2022;21(9):1050-1056
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