J. Siepmann

发表论文 77 篇 · 总被引 2207 次 · h-index 21

代表论文

ZIF-8 Vibrational Spectra: Peak Assignments and Defect Signals. (2024 · ACS Applied Materials and Interfaces · 被引 89)
Achieving Reproducibility and Replicability of Molecular Dynamics and Monte Carlo Simulations Using the Molecular Simulation Design Framework (MoSDeF) (2025 · Journal of Chemical and Engineering Data · 被引 16)
Self-Aggregative Recognition and Extraction of Perfluorooctanesulfonate with Flexible Cationic Water-Soluble Deep Cavitands. (2025 · Journal of the American Chemical Society · 被引 14)
Understanding Pore Filling Processes and Adsorption/Desorption Hysteresis in Nanoporous Metal-Organic Frameworks: Insights from Grand Canonical Monte Carlo Simulations and Free Energy Calculations. (2025 · Langmuir · 被引 10)
Characterization of Functionalized Chromatographic Nanoporous Silica Materials by Coupling Water Adsorption and Intrusion with Nuclear Magnetic Resonance Relaxometry (2024 · ACS Applied Nano Materials · 被引 8)
Understanding Differences in Water Adsorption Isotherms: Structural Variations, Force Fields, and Monte Carlo Simulation Approaches (2025 · Journal of Physical Chemistry C · 被引 7)