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Chemistry

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Research.com Recognitions

  • 2013 - Fellow of American Physical Society (APS) Citation For the development of efficient Monte Carlo algorithms and accurate force fields and for applications to predictive modeling of complex chemical systems

Overview

J. Ilja Siepmann is affiliated with the University of Minnesota in the United States. Their research spans the fields of materials science and chemistry, with a significant focus on materials chemistry and inorganic chemistry. Additional subfields of study include biomedical engineering, organic chemistry, and mechanical engineering.

The scientist's main topics of investigation include:

  • Metal-Organic Frameworks: Synthesis and Applications
  • Machine Learning in Materials Science
  • Phase Equilibria and Thermodynamics
  • Zeolite Catalysis and Synthesis
  • X-ray Diffraction in Crystallography
  • Chemical Thermodynamics and Molecular Structure
  • Surfactants and Colloidal Systems

Siepmann's notable recent papers include:

  • One-dimensional intergrowths in two-dimensional zeolite nanosheets and their effect on ultra-selective transport, 2020, Nature Materials
  • Shaping the Water-Harvesting Behavior of Metal-Organic Frameworks Aided by Fine-Tuned GPT Models, 2023, Journal of the American Chemical Society
  • Fingerprinting diverse nanoporous materials for optimal hydrogen storage conditions using meta-learning, 2021, Science Advances
  • MOF Linker Extension Strategy for Enhanced Atmospheric Water Harvesting, 2023, ACS Central Science
  • MOFX-DB: An Online Database of Computational Adsorption Data for Nanoporous Materials, 2023, Journal of Chemical & Engineering Data

Frequent publication venues for Siepmann include:

  • Journal of Chemical & Engineering Data
  • The Journal of Chemical Physics
  • Journal of the American Chemical Society
  • The Journal of Physical Chemistry C
  • The Journal of Physical Chemistry B

Collaborative research is an important part of Siepmann's work, with frequent co-authors including Randall Q. Snurr, Michael Tsapatsis, Saumil Chheda, Timothy P. Lodge, and Laura Gagliardi.

In 2013, Siepmann was recognized as a Fellow of the American Physical Society (APS). The citation for this award notes contributions to the development of efficient Monte Carlo algorithms, accurate force fields, and applications to predictive modeling of complex chemical systems.

Best Publications

  • Transferable Potentials for Phase Equilibria. 1. United-Atom Description of n-Alkanes

    Marcus G. Martin;J. Ilja Siepmann

  • Vapor–liquid equilibria of mixtures containing alkanes, carbon dioxide, and nitrogen

    Jeffrey J. Potoff;J. Ilja Siepmann

  • Monte Carlo Calculations for Alcohols and Their Mixtures with Alkanes. Transferable Potentials for Phase Equilibria. 5. United-Atom Description of Primary, Secondary, and Tertiary Alcohols

    Bin Chen;and Jeffrey J. Potoff;J. Ilja Siepmann

  • Novel Configurational-Bias Monte Carlo Method for Branched Molecules. Transferable Potentials for Phase Equilibria. 2. United-Atom Description of Branched Alkanes

    Marcus G. Martin and;J. Ilja Siepmann

  • Advances, Updates, and Analytics for the Computation-Ready, Experimental Metal–Organic Framework Database: CoRE MOF 2019

    Yongchul G. Chung;Emmanuel Haldoupis;Benjamin J. Bucior;Maciej Haranczyk

  • Transferable Potentials for Phase Equilibria. 4. United-Atom Description of Linear and Branched Alkenes and Alkylbenzenes

    Collin D. Wick;Marcus G. Martin;J. Ilja Siepmann

  • Computer simulations of vapor-liquid phase equilibria of n-alkanes

    Berend Smit;Sami Karaborni;J. Ilja Siepmann

  • Hydrogen Sulfide Capture: From Absorption in Polar Liquids to Oxide, Zeolite, and Metal-Organic Framework Adsorbents and Membranes.

    Mansi S. Shah;Michael Tsapatsis;J. Ilja Siepmann

  • Transferable Potentials for Phase Equilibria. 6. United-Atom Description for Ethers, Glycols, Ketones, and Aldehydes

    John M. Stubbs;Jeffrey J. Potoff;J. Ilja Siepmann

  • Ultra-selective high-flux membranes from directly synthesized zeolite nanosheets

    Mi Young Jeon;Donghun Kim;Prashant Kumar;Pyung Soo Lee

  • Influence of surface topology and electrostatic potential on water/electrode systems

    J. Ilja Siepmann;Michiel Sprik

  • Liquid Water from First Principles: Investigation of Different Sampling Approaches

    I-Feng W. Kuo;Christopher J. Mundy;Matthew J. Mcgrath;J. Ilja Siepmann

  • TRANSFERABLE POTENTIALS FOR PHASE EQUILIBRIA. 3. EXPLICIT-HYDROGEN DESCRIPTION OF NORMAL ALKANES

    Bin Chen;J. Ilja Siepmann

  • Development of Polarizable Water Force Fields for Phase Equilibrium Calculations

    Bin Chen;Jianhua Xing;J. Ilja Siepmann

  • Improving the efficiency of the configurational-bias Monte Carlo algorithm

    T. J. H. Vlugt;M. G. Martin;B. Smit;J. I. Siepmann

  • High-Resolution 13C and 1H Solution NMR Study of Poly(lactide)

    Khalid A. M. Thakur;Robert T. Kean;Eric S. Hall;Jeffrey J. Kolstad

  • Transferable potentials for phase equilibria. 7. primary, secondary, and tertiary amines, nitroalkanes and nitrobenzene, nitriles, amides, pyridine, and pyrimidine

    Collin D. Wick;John M. Stubbs;Neeraj Rai;J. Ilja Siepmann

  • Computer simulations of the energetics and siting of n-alkanes in zeolites

    B. Smit;J.I. Siepmann

  • Transferable potentials for phase equilibria. 9. Explicit hydrogen description of benzene and five-membered and six-membered heterocyclic aromatic compounds

    Neeraj Rai;J. Ilja Siepmann

  • Viscous Water Meniscus under Nanoconfinement

    R. C. Major;J. E. Houston;M. J. McGrath;J. I. Siepmann

Frequent Co-Authors

Michael Tsapatsis
Michael Tsapatsis Johns Hopkins University
Christopher J. Mundy
Christopher J. Mundy Pacific Northwest National Laboratory
Michael L. Klein
Michael L. Klein Temple University
Donald G. Truhlar
Donald G. Truhlar University of Minnesota
Timothy P. Lodge
Timothy P. Lodge University of Minnesota
Gabriele Sadowski
Gabriele Sadowski TU Dortmund University
David A. Kofke
David A. Kofke State University of New York
Joan F. Brennecke
Joan F. Brennecke The University of Texas at Austin
Omar K. Farha
Omar K. Farha Northwestern University

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