J. Ilja Siepmann

University of Minnesota System — United States

Engineering · Physical Sciences

76h-index26.2kcitations396works5.22yr avg
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Research Topics

Phase Equilibria and Thermodynamics(156), Spectroscopy and Quantum Chemical Studies(59), Advanced Chemical Physics Studies(57), Chemical Thermodynamics and Molecular Structure(53), Analytical Chemistry and Chromatography(48)

Publications396 total

High Temperature and Pressure Pure-Silica Zeolite Ammonia Adsorbents and Their Use in Pressure Swing Adsorption Separations
2026Open Access
Gas Permeation Properties of Amorphous Zeolitic Imidazolate Framework Membranes Made by Atomic/Molecular Layer Deposition
2025
Understanding Differences in Water Adsorption Isotherms: Structural Variations, Force Fields, and Monte Carlo Simulation Approaches
The Journal of Physical Chemistry C·2025
High Temperature and Pressure Pure-Silica Zeolite Ammonia Adsorbents and Their Use in Adsorption-Enhanced Catalytic Reactors
2025Open Access
Monte Carlo methods, 70 years after “Equation of state calculations by fast computing machines” by Nicholas Metropolis, Arianna Rosenbluth, Marshall Rosenbluth, Augusta Teller, and Edward Teller (1953)
The Journal of Chemical Physics·2025Open Access
Adsorption Hysteresis Under Control: Tuning Host—Guest Interactions via a Genetic Algorithm
2025Open Access
Selective Bicarbonate Receptors for Direct Ocean Capture of CO <sub>2</sub>
JACS Au·2025Open Access
Discovery of Stacking Heterogeneity, Layer Buckling, and Residual Water in COF-999-NH2 and Implications on CO2 Capture
2025
Structure and dynamics of water-in-salt LiTFSI electrolytes from first-principles molecular dynamics simulations
The Journal of Chemical Physics·2025· 2 cited
Ammonia Adsorption onto MFI Zeolite Nanosheets
2025
Understanding Differences in Water Adsorption Isotherms: Structural Variations, Force Fields, and Monte Carlo Simulation Approaches
2025
Exploring the Self-Assembly of Glycolipids into Three-Dimensional Network Phases
The Journal of Physical Chemistry B·2025· 3 cited
Double-Gyroid Network Morphologies Formed by Asymmetric AB<sub>1</sub>B<sub>2</sub> Triblock Amphiphiles over Wide Volume Fraction Range
JACS Au·2025· 1 citedOpen Access
Self-Aggregative Recognition and Extraction of Perfluorooctanesulfonate with Flexible Cationic Water-Soluble Deep Cavitands
Journal of the American Chemical Society·2025· 8 cited
Understanding Pore Filling Processes and Adsorption/Desorption Hysteresis in Nanoporous Metal–Organic Frameworks: Insights from Grand Canonical Monte Carlo Simulations and Free Energy Calculations
Langmuir·2025· 4 cited
Achieving Reproducibility and Replicability of Molecular Dynamics and Monte Carlo Simulations Using the Molecular Simulation Design Framework (MoSDeF)
Journal of Chemical & Engineering Data·2025· 11 citedOpen Access
CoRE MOF DB: A curated experimental metal-organic framework database with machine-learned properties for integrated material-process screening
Matter·2025· 48 cited
Ammonia Adsorption at High Temperature and Pressure Using Sodium Containing Aluminosilicates: Selectivity over Nitrogen and Multicycle Working Capacities
Industrial & Engineering Chemistry Research·2025· 2 cited
Pedro Velho Wins the 2025 <i>Journal of Chemical &amp; Engineering Data</i> Early Career Award
Journal of Chemical & Engineering Data·2025
Modeling ethanol/water adsorption in all-silica zeolites using the real adsorbed solution theory
The Journal of Chemical Physics·2025· 2 citedOpen Access
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Frequent Co-authors

Marcus G. Martin(6), Berend Smit(6), Michael Tsapatsis(5), I‐Feng W. Kuo(5), Christopher J. Mundy(5), Jeffrey J. Potoff(4), Collin D. Wick(4), Evgenii O. Fetisov(4), Matthew J. McGrath(4), Bin Chen(3), Peng Bai(3), Joost VandeVondele(3), Jürg Hutter(3), Neeraj Rai(3), Becky L. Eggimann(3), Benjamin J. Bucior(2), Maciej Harańczyk(2), Randall Q. Snurr(2), Mi Young Jeon(2), Prashant Kumar(2)