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المؤلفون: Brad Crawford, Umesh Timalsina, Co D. Quach, Nicholas C. Craven, Justin B. Gilmer, Clare McCabe, Peter T. Cummings, Jeffrey J. Potoff
المصدر: Journal of Chemical Information and Modeling. 63:1218-1228
مصطلحات موضوعية: General Chemical Engineering, General Chemistry, Library and Information Sciences, Computer Science Applications
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المؤلفون: Brennon L. Shanks, Jeffrey J. Potoff, Michael P. Hoepfner
المصدر: The journal of physical chemistry letters.
مصطلحات موضوعية: General Materials Science, Physical and Theoretical Chemistry
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3
المؤلفون: Jeffrey J. Potoff, Chloe Luyet, Mohammad Soroush Barhaghi
المصدر: Molecular Physics. 117:3827-3839
مصطلحات موضوعية: Aqueous solution, Materials science, Monte Carlo method, Biophysics, Astrophysics::Solar and Stellar Astrophysics, Thermodynamics, Physics::Chemical Physics, Physical and Theoretical Chemistry, Nuclear Experiment, Condensed Matter Physics, Molecular Biology
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4
المؤلفون: Jeffrey J. Potoff, Mohammad Soroush Barhaghi
المصدر: Fluid Phase Equilibria. 486:106-118
مصطلحات موضوعية: Canonical ensemble, 010405 organic chemistry, Chemistry, General Chemical Engineering, Monte Carlo method, Solvation, General Physics and Astronomy, Thermodynamics, 02 engineering and technology, 01 natural sciences, 0104 chemical sciences, Gibbs free energy, Transfer (group theory), symbols.namesake, 020401 chemical engineering, Phase (matter), symbols, Free energies, 0204 chemical engineering, Physical and Theoretical Chemistry, Molecular exchange
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::15b473229523e479435646d6f39e8924
https://doi.org/10.1016/j .fluid.2018.12.032 -
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المصدر: Journal of Chemical & Engineering Data. 64:3701-3717
مصطلحات موضوعية: Simulation optimization, Chemistry, General Chemical Engineering, Histogram, Vapor–liquid equilibrium, General Chemistry, Statistical physics, Grand canonical monte carlo
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المؤلفون: Brock Jackman, Younes Nejahi, Kamel Rushaidat, Jeffrey J. Potoff, Loren Schwiebert, Mohammad Soroush Barhaghi, Yuanzhe Li, Jason R. Mick
المصدر: SoftwareX, Vol 9, Iss, Pp 20-27 (2019)
مصطلحات موضوعية: Canonical ensemble, Imagination, Physics, lcsh:Computer software, 0303 health sciences, business.industry, media_common.quotation_subject, Monte Carlo method, 01 natural sciences, Computer Science Applications, Computational science, 03 medical and health sciences, CUDA, Software, lcsh:QA76.75-76.765, Phase (matter), 0103 physical sciences, 010306 general physics, business, Monte Carlo algorithm, 030304 developmental biology, Complex fluid, media_common
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المؤلفون: Ray A. Matsumoto, Justin B. Gilmer, Sharon C. Glotzer, Arthi Jayaraman, Ramanish Singh, Eric Jankowski, Peter T. Cummings, Ryan S. DeFever, Akos Ledeczi, Clare McCabe, Joshua T. Anderson, J. Ilja Siepmann, Jeremy C. Palmer, Edward J. Maginn, Jeffrey J. Potoff, Christopher R. Iacovella, Brad Crawford
مصطلحات موضوعية: Design framework, Environmental Engineering, Computer science, business.industry, General Chemical Engineering, Molecular simulation, 02 engineering and technology, Python (programming language), 021001 nanoscience & nanotechnology, Open source, Molecular modelling, Software, 020401 chemical engineering, Chemical engineering, Component-based software engineering, Key (cryptography), 0204 chemical engineering, 0210 nano-technology, business, computer, Biotechnology, computer.programming_language
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7c608792cc6fb6920f0630b88cc8f142
https://doi.org/10.22541/au.160675928.80358821/v1 -
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المؤلفون: Akshata R. Naik, Kenneth T. Lewis, Bhanu P. Jena, Eric R. Kuhn, Douglas J. Taatjes, Jeffrey J. Potoff, Xuequn Chen, Keith M. Kokotovich, Krishna Rao Maddipati, J. H. K. Hörber
المصدر: The journal of physical chemistry. B. 123(32)
مصطلحات موضوعية: Erythrocytes, Cell division, Proteome, Molecular Dynamics Simulation, 010402 general chemistry, 01 natural sciences, Cell membrane, Rats, Sprague-Dawley, Membrane Lipids, Mice, Cytosol, 0103 physical sciences, Organelle, Materials Chemistry, medicine, Tumor Cells, Cultured, Animals, Secretion, Physical and Theoretical Chemistry, Ion transporter, 010304 chemical physics, Chemistry, Cell Membrane, Blood Proteins, 0104 chemical sciences, Surfaces, Coatings and Films, Rats, Pancreatic Neoplasms, Membrane, medicine.anatomical_structure, Biophysics, Tonicity, lipids (amino acids, peptides, and proteins), Insulinoma
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المؤلفون: Gregory Schwing, Younes Nejahi, Mohammad Soroush Barhaghi, Loren Schwiebert, Jeffrey J. Potoff
المصدر: SoftwareX, Vol 13, Iss, Pp 100627-(2021)
مصطلحات موضوعية: Cyclic molecules, Monte Carlo method, Phase (waves), Thermodynamic integration, 01 natural sciences, Crankshaft move, Free energy perturbation, QA76.75-76.765, 03 medical and health sciences, 0103 physical sciences, Computer software, Statistical physics, 010306 general physics, 030304 developmental biology, Complex fluid, Physics, 0303 health sciences, Molecular Exchange Monte Carlo, Sampling (statistics), Computer Science Applications, Phase space, Multi-particle, Exp-6 potential, Alchemical free energy, Software, Energy (signal processing)
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5ffaa62ab190f4b279f65f0a8d5fc322
https://doi.org/10.1016/j .softx.2020.100627 -
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المؤلفون: Jason R. Mick, Mohammad Soroush Barhaghi, Jeffrey J. Potoff
المصدر: Journal of Chemical & Engineering Data. 61:1625-1631
مصطلحات موضوعية: Chemistry, General Chemical Engineering, Monte Carlo method, chemistry.chemical_element, Thermodynamics, Radon, 02 engineering and technology, General Chemistry, 010402 general chemistry, 021001 nanoscience & nanotechnology, 01 natural sciences, 0104 chemical sciences, Grand canonical ensemble, Boiling point, Critical point (thermodynamics), Vaporization, Compressibility, Vapor–liquid equilibrium, 0210 nano-technology