Selected peer-reviewed publications from my research. Connect with me on academic platforms:
Physics-informed machine learning exploration of Na storage mechanisms in disordered carbon
Rampal, Nikhil, Weitzner, Stephen E, Omenya, Fredrick, Wood, Marissa, Reed, David M, Li, Xiaolin, Lee, Jonathan RI, Wan, Liwen F
Energy Storage Materials, 104967, 2026
Using machine learning to uncover sodium storage mechanisms in carbon-based materials for next-generation batteries.
Energy Storage
Machine Learning
Mechanistic Insights into Defect-Mediated Crystallization Revealed by Lattice Strain Evolution
Yuan, Ke, Weber, Juliane, Rampal, Nikhil, Fang, Zhengwu, You, Jiahui, Boebinger, Matthew G, Zhang, Rui, Cha, Wonsuk, Anovitz, Lawrence M, Lee, Sang Soo, et al.
Journal of the American Chemical Society, 2026
Investigation of defect-mediated crystallization processes through the lens of lattice strain evolution.
Geochemical Systems
Nuclear quantum effects of metal surface-mediated C--H activation
Bunting, Rhys J, Shepherd, Sam, Rampal, Nikhil, Akhade, Sneha, Wilkins, David M, Pham, Tuan Anh
Physical Chemistry Chemical Physics, 27(30), 16051-16056, 2025
Exploring quantum effects in carbon-hydrogen bond activation on metal surfaces.
Extreme Conditions
Cross-Scale Modeling and Experimental Integration for Advancing Cathode Electrolyte Interphase Studies
Weitzner, Stephen E, Wang, Bo, Rampal, Nikhil, Jeong, Wonseok, Yuan, Suyue, Zhang, Shenli, Bucci, Giovanna, Adelstein, Nicole, Yan, Shan, Marschilok, Amy C, et al.
Energy Storage Materials, 104368, 2025
Multiscale approach to understanding cathode-electrolyte interfaces in lithium-ion batteries.
Energy Storage
Microstructure-Dependent Sodium Storage Mechanisms in Hard Carbon Anodes
Kitsu Iglesias, Luis, Marks, Samuel D, Rampal, Nikhil, Antonio, Emma N, de Ferreira de Menezes, Rafael, Zhang, Liang, Olds, Daniel, Weitzner, Stephen E, Sprenger, Kayla G, Wan, Liwen F, et al.
Small, 2505561, 2025
Investigation of how microstructure affects sodium storage in hard carbon battery anodes.
Energy Storage
How are Heterogeneous Nucleation Rate Observations Influenced by Instrument Resolution?
You, Jiahui, Yuan, Ke, Rampal, Nikhil, Stack, Andrew G, Starchenko, Vitalii
ACS Applied Materials & Interfaces, 17(11), 17492-17500, 2025
Analysis of how experimental instrument resolution affects observed nucleation rates.
Geochemical Systems
Iron Impurity Impairs the CO2 Capture Performance of MgO
Yuan, Ke, Rampal, Nikhil, Adapa, Sai, Evans, Barbara R, Bracco, Jacquelyn N, Boebinger, Matthew G, Stack, Andrew G, Weber, Juliane
ACS Applied Materials & Interfaces, 16(46), 64233-64243, 2024
Using microscopy and machine learning to understand how iron impurities affect carbon capture materials.
Geochemical Systems
Machine Learning
Structural and transport properties of battery electrolytes at sub-zero temperatures
Rampal, Nikhil, Weitzner, Stephen E, Cho, Seongkoo, Orme, Christine A, Worsley, Marcus A, Wan, Liwen F
Energy & Environmental Science, 2024
Investigation of how battery electrolytes perform at extremely low temperatures, revealing critical structural and transport properties.
Energy Storage
Ion Correlations Decrease Particle Aggregation Rate by Increasing Hydration Forces at Interfaces
Butreddy, Pravalika, Heo, Jaeyoung, Rampal, Nikhil, Liu, Tingting, Liu, Lili, Smith, William, Zhang, Xin, Prange, Micah P, Legg, Benjamin A, Schenter, Gregory K, De Yoreo, James J, Chun, Jaehun, Stack, Andrew G, Nakouzi, Elias
ACS nano, 2024
Study of how ion correlations influence particle aggregation through hydration force effects.
Geochemical Systems
Impact of magnetic and electric fields on the free energy to form a calcium carbonate ion-pair
Yuan, Ke, Rampal, Nikhil, Du, Xuewei, Shu, Fangjun, Wang, Yanxing, Wang, Huiyao, Stack, Andrew G, Ishai, Paul Ben, Anovitz, Lawrence M, Xu, Pei
Physical Chemistry Chemical Physics, 2024
Investigation of how electromagnetic fields affect calcium carbonate formation energetics.
Geochemical Systems
Variations in proton transfer pathways and energetics on pristine and defect-rich quartz surfaces in water
Yuan, Ke, Rampal, Nikhil, Irle, Stephan, Criscenti, Louise J, Lee, Sang Soo, Adapa, Sai, Stack, Andrew G
Journal of Colloid and Interface Science, 666, 232-243, 2024
Study of proton transfer mechanisms at quartz surfaces with varying defect concentrations.
Geochemical Systems
Molecular Mechanisms of Sorbed Ion Effects during Boehmite Particle Aggregation
Liu, Tingting, Rampal, Nikhil, Nakouzi, Elias, Legg, Benjamin A, Chun, Jaehun, Liu, Lili, Schenter, Gregory K, De Yoreo, James J, Anovitz, Lawrence M, Stack, Andrew G
Langmuir, 40(17), 8791-8805, 2024
Investigation of how sorbed ions influence particle aggregation at the molecular level.
Geochemical Systems
Testing the hypothesis that solvent exchange limits the rates of calcite growth and dissolution
Rampal, Nikhil, Wang, Hsiu-Wen, Brady, Alexander B, Borreguero, Jose M, Biriukov, Denys, Mamontov, Eugene, Stack, Andrew G
RSC advances, 14(22), 15743-15754, 2024
Comprehensive testing of the solvent exchange limitation hypothesis in mineral growth and dissolution.
Geochemical Systems
Assessing an aqueous flow cell designed for in situ crystal growth under X-ray nanotomography and effects of radiolysis products
Yuan, Ke, Starchenko, Vitalii, Rampal, Nikhil, Yang, Fengchang, Xiao, Xianghui, Stack, Andrew G
Journal of Synchrotron Radiation, 30(3), 634-642, 2023
Design and assessment of a flow cell for studying crystal growth with X-ray imaging.
Geochemical Systems
The evolution of solvation symmetry and composition in Zn halide aqueous solutions from dilute to extreme concentrations
Dhakal, Diwash, Driscoll, Darren M, Govind, Niranjan, Stack, Andrew G, Rampal, Nikhil, Schenter, Gregory, Mundy, Christopher J, Fister, Timothy T, Fulton, John L, Balasubramanian, Mahalingam, et al.
Physical Chemistry Chemical Physics, 25(34), 22650-22661, 2023
Study of solvation structures in zinc halide solutions across concentration ranges.
Geochemical Systems
Exploring Reactivity in Aqueous Solutions and at Mineral-Water Interfaces Through the Lens of Rare Event Theory
Rampal, Nikhil
PhD Thesis, Columbia University, 2023
Doctoral thesis on using rare event theory to understand geochemical processes.
Geochemical Systems
In situ observations of barium sulfate nucleation in nanopores
Brady, Alexander B, Weber, Juliane, Yuan, Ke, Allard, Lawrence F, Avina, Omar, Ogaz, Ramon, Chang, Yao-Jen, Rampal, Nikhil, Starchenko, Vitalii, Rother, Gernot, et al.
Crystal Growth & Design, 22(12), 6941-6951, 2022
Direct observation of nucleation processes confined within nanoporous environments.
Geochemical Systems
Synergistic Enhancement of Lead and Selenate Uptake at the Barite (001)--Water Interface
Yang, Peng, Rampal, Nikhil, Weber, Juliane, Bracco, Jacquelyn N, Fenter, Paul, Stack, Andrew G, Lee, Sang Soo
Environmental Science & Technology, 56(23), 16801-16810, 2022
Study of how barite surfaces interact with and remove multiple contaminants simultaneously.
Geochemical Systems
The "good," the "bad," and the "hidden" in neutron scattering and molecular dynamics of ionic aqueous solutions
Biriukov, Denys, Wang, Hsiu-Wen, Rampal, Nikhil, Tempra, Carmelo, Kula, Patrik, Neuefeind, Joerg C, Stack, Andrew G, Předota, Milan
The Journal of Chemical Physics, 156(19), 2022
Critical analysis of neutron scattering techniques and MD simulations for ionic solutions.
Geochemical Systems
Frustrated Coulombic and cation size effects on nanoscale boehmite aggregation
Anovitz, Lawrence M, Huestis, P, Rampal, Nikhil, Stack, Andrew G, LaVerne, JA, Zhang, X, Schenter, GK, Chun, J, Legg, BA, Liu, L, et al.
The Journal of Physical Chemistry C, 126(9), 4391-4414, 2022
Investigation of electrostatic and size effects in mineral particle aggregation.
Geochemical Systems
Solution and interface structure and dynamics in geochemistry: Gateway to link elementary processes to mineral nucleation and growth
Wang, Hsiu-Wen, Yuan, Ke, Rampal, Nikhil, Stack, Andrew G
Crystal Growth & Design, 22(1), 853-870, 2021
Review linking molecular-scale processes to macroscopic mineral formation.
Geochemical Systems
Local molecular environment drives speciation and reactivity of ion complexes in concentrated salt solution
Rampal, Nikhil, Wang, Hsiu-Wen, Biriukov, Denys, Brady, Alexander B, Neuefeind, Joerg C, Předota, Milan, Stack, Andrew G
Journal of Molecular Liquids, 340, 116898, 2021
Study of how local environment affects ion behavior in concentrated solutions.
Geochemical Systems
Density functional tight-binding simulations reveal the presence of surface defects on the quartz (101)--water interface
Yuan, Ke, Rampal, Nikhil, Fenter, Paul, Kubicki, James D, Stack, Andrew G, Irle, Stephan
The Journal of Physical Chemistry C, 125(29), 16246-16255, 2021
Computational study revealing defect structures at mineral-water interfaces.
Geochemical Systems
Opposing effects of impurity ion Sr2+ on the heterogeneous nucleation and growth of barite (BaSO4)
Yuan, Ke, Starchenko, Vitalii, Rampal, Nikhil, Yang, Fengchang, Yang, Xiaogang, Xiao, Xianghui, Lee, Wah-Keat, Stack, Andrew G
Crystal Growth & Design, 21(10), 5828-5839, 2021
Study of how impurity ions can have contradictory effects on mineral formation processes.
Geochemical Systems
Integrated Machine Learning-Molecular Dynamics Framework for Electrolyte Property Prediction
Sagireddy, Srikant, Rampal, Nikhil, Weitzner, Stephen E, Wan, Liwen F
Under Review
Framework combining machine learning and molecular dynamics to predict electrolyte properties.
Energy Storage
Machine Learning
Elucidating Li transport mechanism in disordered LiF from machine-learning molecular dynamic simulations
Yuan, Suyue, Rampal, Nikhil, Adelstein, Nicole, Wan, Liwen F
Under Internal Review
Investigation of lithium transport in disordered structures using ML-based simulations.
Energy Storage
Machine Learning
Nanoscale Structural and Transport Fluctuations in the Electric Double Layer: Critical Drivers of Vanadium Redox Flow Battery Performance
Rampal, Nikhil, Weitzner, Stephen E, Sun, Wenyu, Hollas, Aaron, Murugesan, Vijayakumar, Reed, David M, van Buuren, Tony, Lee, Jonathon R I, Wan, Liwen F
Under Internal Review
Study of electric double layer properties affecting flow battery performance.
Energy Storage
Resolving Competing Effects in Battery Systems via Atomistic Simulations
Rampal, Nikhil, Weitzner, Stephen E, Cho, Seongkoo, Orme, Christine A, Worsley, Marcus A, Wan, Liwen F
Under Internal Review
Using computational methods to untangle complex competing effects in battery materials.
Energy Storage
High pressure phase stability and melt in shock-compressed titanium
Singh, Saransh, Paul, Reetam, Rampal, Nikhil, Bunting, Rhys J, Hamel, Sebastien, Pulver, Nathan, McGuire, Chistopher P, Clarke, Samantha M, Coleman, Amy, Vennari, Cara, et al.
Under Internal Review
Investigation of titanium behavior under extreme pressure and shock compression.
Extreme Conditions
Saturation Dependent Nucleation Pathways and Phase Transitions
Rampal, Nikhil, Wang, Hsiu-Wen, Yuan Ke, Karmakar, Tarak, Parinello, Michelle, Stack, Andrew G.
In preparation
Study of how saturation levels affect mineral formation pathways.
Geochemical Systems
Beyond Classical Nucleation Theory: Molecular Insights into Non-Classical Pathways of Sparingly Soluble Salts
Rampal, Nikhil, Wang, Hsiu-Wen, Yuan, Ke, Stack, Andrew
American Conference of Crystal Growth and Epitaxy, 2025
Session Chair and Speaker presentation on non-classical nucleation pathways.
Geochemical Systems
Ionic and Microstructural Mechanisms in Next-Generation Energy Storage Materials
Rampal, Nikhil
San Francisco State University, 2025
Invited talk on mechanisms underlying next-generation energy storage.
Energy Storage
Design Principles for High-Performance Electrolytes—Overcoming Low-Temperature Challenges in Lithium-Ion Batteries
Rampal, Nikhil, Weitzner, Stephen E, Cho, Seongkoo, Orme, Christine A, Worsley, Marcus A, Wan, Liwen F
Materials Research Society, 2025
Presentation on developing battery electrolytes that function at low temperatures.
Energy Storage
Decoding the mechanistic processes that dictate battery performance using enhanced sampling simulations
Rampal, Nikhil, Adelstein, Nicole, Sun, Wenyu, Weitzner, Stephen E, Orme, Christine A, Worsley, Marcus A, Wan, Liwen F
Abstracts of Papers of the American Chemical Society, 2024
Presentation on advanced computational methods for understanding battery function.
Energy Storage
Structure and dynamics of water on Calcite (104) surface studied by quasielastic neutron scattering and molecular dynamics simulations
Rampal, Nikhil, Kroutil, Ondrej, Wang, Hsiu-Wen, Mamontov, Eugene, Biriukov, Denys, Predota, Milan, Stack, Andrew
Abstracts of Papers of the American Chemical Society, 2021
Combined experimental and computational study of water behavior at mineral surfaces.
Geochemical Systems
Amalgamation of computational and experimental studies to probe the effect of local molecular environments in aqueous salt solutions
Rampal, Nikhil, Wang, Hsiu-Wen, Biriukov, Denys, Brady, Alexander, Neuefeind, Joerg, Predota, Milan, Stack, Andrew
Pacifichem, 2021
Invited presentation on integrated approaches to understand solution chemistry.
Geochemical Systems
Chloride ion solvation, dynamics and ion-pairing interactions in concentrated aqueous solutions
Rampal, Nikhil, Wang, Hsiu-Wen, Stack, Andrew, Biriukov, Denys, Neuefeind, Joerg
Abstracts of Papers of the American Chemical Society, 257, 2019
Combined neutron diffraction and computational study of ion behavior in solution.
Geochemical Systems