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1دورية أكاديمية
المؤلفون: Jana E. Black, Andrew Z. Summers, Christopher R. Iacovella, Peter T. Cummings, Clare McCabe
المصدر: Nanomaterials, Vol 9, Iss 4, p 639 (2019)
مصطلحات موضوعية: molecular dynamics, tribology, surface science, self-assembled monolayers, cross-polymerization, adsorption, chemisorption, physisorption, Chemistry, QD1-999
وصف الملف: electronic resource
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2دورية أكاديمية
المؤلفون: Matthew W. Thompson, Boris Dyatkin, Hsiu-Wen Wang, C. Heath Turner, Xiahan Sang, Raymond R. Unocic, Christopher R. Iacovella, Yury Gogotsi, Adri C. T. van Duin, Peter T. Cummings
المصدر: C, Vol 3, Iss 4, p 32 (2017)
مصطلحات موضوعية: nanoporous carbon, carbide-derived carbon, reactive molecular dynamics, Organic chemistry, QD241-441
وصف الملف: electronic resource
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3دورية أكاديمية
مصطلحات موضوعية: Medicine, Biological Sciences not elsewhere classified, Mathematical Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, pytorch geometric library, made publicly available, heterogeneous molecular structures, predicted tribological properties, frictional properties resulting, data set consisting, based model designed, unknown interactional relationship, learning interactional properties, six data sets, input e (<, incorporating spatial features, learn interactional properties, iegnn model developed, data sets, e (<, chemical properties, model ’, efficiently learn, variable composition, previous methods, n <, iegnn ’, functions learned, also created
الإتاحة: https://doi.org/10.1021/acs.jpcb.3c07304.s001Test
https://figshare.com/articles/journal_contribution/E_i_n_i_Equivariant_Graph_Neural_Network_for_Learning_Interactional_Properties_of_Molecules/25016007Test -
4دورية أكاديمية
المؤلفون: Murillo L. Martins (9143214), Xiaobo Lin (691229), Catalin Gainaru (7827584), Jong K. Keum (1604347), Peter T. Cummings (251966), Alexei P. Sokolov (1404778), Robert L. Sacci (1550779), Eugene Mamontov (1294143)
مصطلحات موضوعية: Biophysics, Biochemistry, Sociology, Plant Biology, Virology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, sup >– sup, sup >+ sup, molecular dynamics simulations, different cosolvents influence, cosolvents strongly interact, concentrated lithium bis, attenuated via cosolvation, transport phenomena relation, concentrated ionic solutions, dichloromethane ), moderate, ionic motions, dichloromethane reduce, charge transport, water ), acetone ), water broaden, study employs, replace acetonitrile, potential improvement, local structure, liquid electrolytes, joining acetonitrile
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5دورية أكاديمية
المؤلفون: Murillo L. Martins (9143214), Robert L. Sacci (1550779), Xiaobo Lin (691229), Ray Matsumoto (6282056), Ivan Popov (8104184), Jinlei Cui (5867438), Takeshi Kobayashi (4712), Madhusudan Tyagi (1278222), Wei Guo (86150), Sheng Dai (466649), Marek Pruski (1359453), Peter T. Cummings (251966), Alexei P. Sokolov (1404778), Eugene Mamontov (1294143)
مصطلحات موضوعية: Biophysics, Biochemistry, Ecology, Sociology, Developmental Biology, Plant Biology, Computational Biology, Environmental Sciences not elsewhere classified, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, simple dilution process, promising alternative electrolytes, extended solvation sheaths, beyond simple dilution, acetone concentrated solutions, litfsi concentrated solution, trends expected, superior conductivities, reduced mobility, pure solvent, polar compound, original structure, original solution, next generation, mobile high, low concentration, li salts, li batteries, ionic diffusion, higher concentrations
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6
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
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_________::47372aef5e9d1c8b9a3d4a9c58096be9Test
https://doi.org/10.1021/acs.jcim.2c01498Test -
7دورية أكاديمية
المؤلفون: Ray A. Matsumoto (7135604), Matthew W. Thompson (3589898), Van Quan Vuong (4720119), Weiwei Zhang (222964), Yuya Shinohara (1620664), Adri C. T. van Duin (7330610), Paul R. C. Kent (8713206), Stephan Irle (1262226), Takeshi Egami (1452877), Peter T. Cummings (251966)
مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Cancer, Computational Biology, Biological Sciences not elsewhere classified, Mathematical Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, Information Systems not elsewhere classified, reactive force field, ray scattering measurements, density functional tight, ab initio <, classical molecular dynamics, binding molecular dynamics, site nonpolarizable models, future simulation approaches, molecular dynamics, present molecular, work lays, water models, simple three, polarizable model, many orders, magnitude difference, interpretable results, different models, computational cost, based calculations
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8
المؤلفون: Murillo L. Martins, Xiaobo Lin, Catalin Gainaru, Jong K. Keum, Peter T. Cummings, Alexei P. Sokolov, Robert L. Sacci, Eugene Mamontov
المصدر: The Journal of Physical Chemistry B. 127:308-320
مصطلحات موضوعية: Materials Chemistry, Physical and Theoretical Chemistry, Surfaces, Coatings and Films
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::df048f9a53de05da23769988a5ddd06fTest
https://doi.org/10.1021/acs.jpcb.2c07327Test -
9
المؤلفون: Tae Yun Ko, Daesin Kim, Seon Joon Kim, Hyerim Kim, Arun S. Nissimagoudar, Seung-Cheol Lee, Xiaobo Lin, Peter T. Cummings, Sehyun Doo, Seongmin Park, Tufail Hassan, Taegon Oh, Ari Chae, Jihoon Lee, Yury Gogotsi, Insik In, Chong Min Koo
المصدر: ACS Nano. 17:1112-1119
مصطلحات موضوعية: General Engineering, General Physics and Astronomy, General Materials Science
الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3bec49d23d0e6265303ecd6a3df653dbTest
https://doi.org/10.1021/acsnano.2c08209Test -
10دورية أكاديمية
المؤلفون: Murillo L. Martins (9143214), Robert L. Sacci (1550779), Nicolette C. Sanders (6282059), J. Landon Tyler (9446193), Ray Matsumoto (6282056), Ivan Popov (8104184), Wei Guo (86150), Sheng Dai (466649), Peter T. Cummings (251966), Alexei P. Sokolov (1404778), Eugene Mamontov (1294143)
مصطلحات موضوعية: Biophysics, Biochemistry, Ecology, Inorganic Chemistry, Space Science, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, mobility, dynamic, diffusivitie, concentration, SISE, experiment, chloroform, QENS, chemical species, Confinement Solvent-in-salt electro.