المؤلفون: Bridgette J. Befort (11284278), Ryan S. DeFever (1624855), Garrett M. Tow (3688768), Alexander W. Dowling (5462699), Edward J. Maginn (1268100)

مصطلحات موضوعية: Biophysics, Medicine, Genetics, Biotechnology, Cancer, Plant Biology, Computational Biology, Biological Sciences not elsewhere classified, Mathematical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, Information Systems not elsewhere classified, force field parameter sets, force fields, HFC, multiobjective optimization workflow, VLE, Classical Molecular Modeling Force ., force field parametrization, AP, low-error parameter sets, force field optimization workflow, simulation

Relation: https://figshare.com/articles/journal_contribution/Machine_Learning_Directed_Optimization_of_Classical_Molecular_Modeling_Force_Fields/15179976

الاتاحة: https://doi.org/10.1021/acs.jcim.1c00448.s001

المؤلفون: Kalin R. Baca (11790337), Greta M. Olsen (9395371), Lucia Matamoros Valenciano (11790340), Madelyn G. Bennett (11790343), Dorothy M. Haggard (11790346), Bridgette J. Befort (9395374), Alejandro Garciadiego (11790349), Alexander W. Dowling (5462699), Edward J. Maginn (1268100), Mark B. Shiflett (1273575)

مصطلحات موضوعية: Biochemistry, Genetics, Molecular Biology, Biotechnology, Immunology, Science Policy, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, smaller molecular size, recent american innovation, present work investigates, global market shift, calculate diffusion coefficients, azeotropic refrigerant mixtures, next 15 years, sustainable separation techniques, six ionic liquids, 2 , ionic liquids, n <, 15 k, significant variations, selectivity ratio, research institutions, prompted industry, potential entrainers, methylimidazolium chloride, mass uptake, il system, halogen anions

Relation: https://figshare.com/articles/journal_contribution/Phase_Equilibria_and_Diffusivities_of_HFC-32_and_HFC-125_in_Ionic_Liquids_for_the_Separation_of_R_410A/17122360

الاتاحة: https://doi.org/10.1021/acssuschemeng.1c06252.s001

المؤلفون: Kalin R. Baca, Greta M. Olsen, Lucia Matamoros Valenciano, Madelyn G. Bennett, Dorothy M. Haggard, Bridgette J. Befort, Alejandro Garciadiego, Alexander W. Dowling, Edward J. Maginn, Mark B. Shiflett

المصدر: ACS Sustainable Chemistry & Engineering. 10:816-830

مصطلحات موضوعية: Renewable Energy, Sustainability and the Environment, General Chemical Engineering, Environmental Chemistry, General Chemistry

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::35d90d25f5f41550e2ddde08acdb5048
https://doi.org/10.1021/acssuschemeng.1c06252

المؤلفون: Bridgette J. Befort

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::902a9f004b29dae0d3aa4baca0fb4dde

المؤلفون: Bridgette J. Befort, Alejandro Garciadiego, Jialu Wang, Ke Wang, Gabriela Franco, Edward J. Maginn, Alexander W. Dowling

المصدر: Fluid Phase Equilibria. 572:113833

مصطلحات موضوعية: General Chemical Engineering, General Physics and Astronomy, Physical and Theoretical Chemistry

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::07e0724be25600ea7191c1e47e91581a
https://doi.org/10.1016/j.fluid.2023.113833

المؤلفون: Garrett M. Tow, Edward J. Maginn, Alexander W. Dowling, Bridgette J. Befort, Ryan S. DeFever

المصدر: Journal of Chemical Information and Modeling. 61:4400-4414

مصطلحات موضوعية: Models, Molecular, Computer science, General Chemical Engineering, Phase (waves), FOS: Physical sciences, Library and Information Sciences, 010402 general chemistry, Machine learning, computer.software_genre, 01 natural sciences, Multi-objective optimization, Force field (chemistry), Machine Learning, Crystal (programming language), Physics - Chemical Physics, 0103 physical sciences, Fraction (mathematics), Prospective Studies, Chemical Physics (physics.chem-ph), 010304 chemical physics, business.industry, General Chemistry, 0104 chemical sciences, Computer Science Applications, Workflow, Test case, Thermodynamics, Gases, Artificial intelligence, business, computer, Parametrization

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8321856065111c3c0ffe026b37796f6f
https://doi.org/10.1021/acs.jcim.1c00448

المؤلفون: Alejandro Garciadiego, Bridgette J. Befort, Gabriela Franco, Mozammel Mazumder, Alexander W. Dowling

مصطلحات موضوعية: General Chemical Engineering, General Chemistry, Industrial and Manufacturing Engineering

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2f3d1e69f21389fc3cbbd7d558161a90
https://doi.org/10.26434/chemrxiv-2022-b60nn

المؤلفون: Mark B. Shiflett, Bridgette J. Befort, Edward J. Maginn, Alexander W. Dowling, Abby N. Harders, Kalin R. Baca, Greta M. Olsen, Ana Rita C. Morais

المصدر: Industrial & Engineering Chemistry Research. 59:18222-18235

مصطلحات موضوعية: R-410A, Equation of state, Materials science, General Chemical Engineering, Thermodynamics, 02 engineering and technology, General Chemistry, 021001 nanoscience & nanotechnology, Industrial and Manufacturing Engineering, Ion, Refrigerant, chemistry.chemical_compound, 020401 chemical engineering, chemistry, Phase (matter), Ionic liquid, 0204 chemical engineering, 0210 nano-technology, Global-warming potential

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::299fee7c69ec518c50c7ecb0eeadfb3f
https://doi.org/10.1021/acs.iecr.0c02820

المؤلفون: Bridgette J. Befort, Ryan S. DeFever, Edward J. Maginn, Alexander W. Dowling

المصدر: Computer Aided Chemical Engineering ISBN: 9780323851596

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::b4e145279c3d0f85ea14f4287a339511
https://doi.org/10.1016/b978-0-323-85159-6.50208-6

المؤلفون: Alejandro Garciadiego, Mozammel Mazumder, Bridgette J. Befort, Alexander W. Dowling

المصدر: Computer Aided Chemical Engineering ISBN: 9780323851596

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::c736c8eb05c6593f8efce09494c87639
https://doi.org/10.1016/b978-0-323-85159-6.50051-8