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: Garrett M. Tow (8617587), Edward J. Maginn (1268100)

مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Molecular Biology, Biotechnology, Ecology, Computational Biology, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, deformation, Polybutadiene, Atomistic, Methodology, HTPB, simulation, atomistic model, IPDI, HTPB-IPDI, cross-linking, Determination, cross-link, method, hydroxyl-terminated, function, quenched, isophorone, embrittlement, degradation, framework, binder

Relation: https://figshare.com/articles/journal_contribution/Cross-Linking_Methodology_for_Fully_Atomistic_Models_of_Hydroxyl-Terminated_Polybutadiene_and_Determination_of_Mechanical_Properties/14531361

الاتاحة: https://doi.org/10.1021/acs.macromol.1c00228.s001

المؤلفون: Jorge L. Galvez Vallejo, Garrett M. Tow, Edward J. Maginn, Buu Q. Pham, Dipayan Datta, Mark S. Gordon

المصدر: The Journal of Physical Chemistry A. 127:1874-1882

مصطلحات موضوعية: Physical and Theoretical Chemistry

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::f6a36c260fcf894cb195561b185ca835
https://doi.org/10.1021/acs.jpca.2c08722

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: Edward J. Maginn, Garrett M. Tow

المصدر: Macromolecules. 54:4488-4496

مصطلحات موضوعية: Materials science, Polymers and Plastics, Organic Chemistry, 02 engineering and technology, 010402 general chemistry, 021001 nanoscience & nanotechnology, Elastomer, 01 natural sciences, 0104 chemical sciences, Inorganic Chemistry, chemistry.chemical_compound, Polybutadiene, Hydroxyl-terminated polybutadiene, chemistry, Ultimate tensile strength, Materials Chemistry, Degradation (geology), Isophorone diisocyanate, Composite material, 0210 nano-technology, Prepolymer, Embrittlement

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::819179199900c6752ae205568b31e43a
https://doi.org/10.1021/acs.macromol.1c00228

المؤلفون: Garrett M. Tow, Edward J. Maginn

المصدر: Macromolecules. 53:2594-2605

مصطلحات موضوعية: Materials science, Polymers and Plastics, Organic Chemistry, 02 engineering and technology, 010402 general chemistry, 021001 nanoscience & nanotechnology, 01 natural sciences, 0104 chemical sciences, Inorganic Chemistry, Molecular dynamics, Polybutadiene, Hydroxyl-terminated polybutadiene, Computational chemistry, Materials Chemistry, 0210 nano-technology

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::83d627d9838e3df646ce5f2b51bd007b
https://doi.org/10.1021/acs.macromol.9b02632

المؤلفون: Garrett M. Tow

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::93a78d69fc4cf585cddcb2270905733a

المؤلفون: Xiaohua Lu, Linghong Lu, Garrett M. Tow, Wei Cao, Tingting Yang, Liangliang Huang, Musen Zhou

المصدر: Molecular Simulation. 43:502-509

مصطلحات موضوعية: Materials science, General Chemical Engineering, Molecular simulation, Nanotechnology, 02 engineering and technology, General Chemistry, Carbon nanotube, 010402 general chemistry, 021001 nanoscience & nanotechnology, Condensed Matter Physics, 01 natural sciences, 0104 chemical sciences, law.invention, Membrane, law, Modeling and Simulation, General Materials Science, 0210 nano-technology, Information Systems

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d039c119894d2216d4d1c5c9e03cc303
https://doi.org/10.1080/08927022.2016.1267353

المؤلفون: Wei Cao, Linghong Lu, Garrett M. Tow, Liangliang Huang, Xiaohua Lu

المصدر: Molecular Physics. 114:2530-2540

مصطلحات موضوعية: Surface diffusion, Materials science, Biophysics, Nanotechnology, 02 engineering and technology, Carbon nanotube, 010402 general chemistry, 021001 nanoscience & nanotechnology, Condensed Matter Physics, 01 natural sciences, Fick's laws of diffusion, 0104 chemical sciences, law.invention, Atomic diffusion, Knudsen diffusion, Chemical physics, law, Bundle, Interstitial defect, Physical and Theoretical Chemistry, Diffusion (business), 0210 nano-technology, Molecular Biology

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::1825da982aded765b5bbefaa305f7aee
https://doi.org/10.1080/00268976.2016.1177665

المؤلفون: Garrett M. Tow, Edward J. Maginn

المصدر: The Journal of Chemical Physics. 149:244502

مصطلحات موضوعية: Bulk modulus, Materials science, Infrared, General Physics and Astronomy, Thermodynamics, 02 engineering and technology, 010402 general chemistry, 021001 nanoscience & nanotechnology, Ammonium perchlorate, 01 natural sciences, Force field (chemistry), 0104 chemical sciences, chemistry.chemical_compound, Molecular dynamics, chemistry, Lattice (order), Orthorhombic crystal system, Physical and Theoretical Chemistry, 0210 nano-technology, Rotational dynamics

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::336ae65ec07f59a64257a4560453d1fc
https://doi.org/10.1063/1.5054758