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1دورية أكاديمية
المؤلفون: Tom Van Wouwe, Jennifer Hicks, Scott Delp, Karen C. Liu
مصطلحات موضوعية: Biophysics, Physiology, Biotechnology, Ecology, Space Science, Biological Sciences not elsewhere classified, Information Systems not elsewhere classified, simulated strength training, high computational cost, healthy bmi range, extensor moment arms, dimensional optimization problem, added muscle volume, simulator enabled us, inspire future studies, found hip flexor, establish causal relationships, novel musculoskeletal simulator, increased muscle mass, marathon running performance, muscle volumes, simulation studies, observational studies, musculoskeletal system, musculoskeletal geometry, marathon running, marathon runners, hip musculature, hip muscles, tasks ranging
الإتاحة: https://doi.org/10.1371/journal.pcbi.1011410.s001Test
https://figshare.com/articles/journal_contribution/_docx_file_with_comparison_of_experimental_and_simulated_kinematics_and_evaluation_of_muscle-length_and_moment_arm_approximation_/25281682Test -
2دورية أكاديمية
المؤلفون: Patrick W. V. Butler, Roohollah Hafizi, Graeme M. Day
مصطلحات موضوعية: Biophysics, Biochemistry, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, mostly reliable discrimination, highly automated workflow, crystal packing space, computational costs close, lattice energy minima, developed sampling methods, ab initio methods, mlips ), trained, trial crystal structures, final energy ranking, costly dft calculations, learned interatomic potentials, csp yields potentials, high computational cost, energy structures, learned potentials, methods allow, training mlips, accurately ranking, potential structures, wide range, primary challenge, often used, level solid
الإتاحة: https://doi.org/10.1021/acs.jpca.3c07129.s001Test
https://figshare.com/articles/journal_contribution/Machine-Learned_Potentials_by_Active_Learning_from_Organic_Crystal_Structure_Prediction_Landscapes/25076185Test -
3دورية أكاديمية
المؤلفون: Kjell Jorner, Robert Pollice, Cyrille Lavigne, Alán Aspuru-Guzik
مصطلحات موضوعية: Biophysics, Biochemistry, Genetics, Physiology, Pharmacology, Biotechnology, Inorganic Chemistry, Plant Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, ultrafast computational screening, triplet excited states, throughput virtual screening, reproduces inverted gaps, inverted energy gap, finding novel classes, currently employed excited, high computational cost, currently known, study paves, state calculations, promising applications, perturbation theory, organic light, next generation, new generation, method based, inverse design, first singlet, emitting diode
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4دورية أكاديمية
المؤلفون: Can Liao, Chad E. Hoyer, Rahoul Banerjee Ghosh, Andrew J. Jenkins, Stefan Knecht, Michael J. Frisch, Xiaosong Li
مصطلحات موضوعية: Medicine, Neuroscience, Physiology, Sociology, Biological Sciences not elsewhere classified, Information Systems not elsewhere classified, high computational cost, computational chemistry due, rising popularity, relativistic two, materials science, large systems, driven processes, different treatments, block metals
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5دورية أكاديمية
المؤلفون: E. Oluwasakin, T. Torku, S. Tingting, A. Yinusa, S. Hamdan, S. Poudel, N. Hasan, J. Vargas, K. Poudel
المصدر: Machine Learning with Applications, Vol 13, Iss , Pp 100483- (2023)
مصطلحات موضوعية: High computational cost, Performance, Data preprocessing, MPI, MPI4Py, Machine learning, Cybernetics, Q300-390, Electronic computers. Computer science, QA75.5-76.95
وصف الملف: electronic resource
العلاقة: http://www.sciencedirect.com/science/article/pii/S2666827023000361Test; https://doaj.org/toc/2666-8270Test
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6دورية أكاديمية
مصطلحات موضوعية: Biophysics, Biochemistry, Medicine, Biotechnology, Computational Biology, Space Science, 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, three case studies, simple kinetic schemes, sequence distribution ), molecular weight distribution, kinetic monte carlo, individual molecular sequences, high computational cost, extreme rate constants, desired property targets, acceleration process incurs, > sub >), >< sub ><, simulating polymerization reactions, polymerization reactions provides, polymerization reactions due, radical reaction systems, thus greatly accelerating, significantly different scales, transfer radical polymerization
الإتاحة: https://doi.org/10.1021/acs.macromol.3c01775.s001Test
https://figshare.com/articles/journal_contribution/Scaling_Acceleration_Algorithm_for_Hybrid_Kinetic_Monte_Carlo_Simulation_of_Linear_Radical_Polymerization/24495361Test -
7دورية أكاديمية
المؤلفون: David S. Rivera Rocabado, Mika Aizawa, Takayoshi Ishimoto
مصطلحات موضوعية: Biophysics, Biochemistry, Ecology, tropsch reactors used, synthetic liquid fuel, nanoparticles ’ geometric, electronic properties prior, specific catalytic functions, 3 sub, 2 sub, support material leads, isolated ru nanoparticles, high computational cost, predicting co interaction, facilitating co activation, co adsorption energies, support material, adsorption energies, co adsorption, catalytic reactions, co interaction, vibrational frequencies, varying sizes, significant implications, shedding light, rigorous validation, pivotal role, nanoparticle size, linear combination, increased instability
الإتاحة: https://doi.org/10.1021/acs.jpcc.3c04218.s001Test
https://figshare.com/articles/journal_contribution/Predicting_CO_Interaction_and_Activation_on_Inhomogeneous_Ru_Nanoparticles_Using_Density_Functional_Theory_Calculations_and_Machine_Learning_Models/24572920Test -
8دورية أكاديمية
المؤلفون: Can Liao, Eleftherios Lambros, Qiming Sun, Kenneth G. Dyall, Xiaosong Li
مصطلحات موضوعية: Biotechnology, Biological Sciences not elsewhere classified, Information Systems not elsewhere classified, ao basis constituents, high computational cost, atomic breit approximation, dcb operator ’, current distribution due, current distribution, computational efficiency, work provides, work aims, widely recognized, small component, shedding light, scaling methods, molecular calculations, metal complexes, gold chains, deeper understanding, comprehensive understanding, breit calculations, benchmark studies, becomes essential
الإتاحة: https://doi.org/10.1021/acs.jctc.3c01012.s001Test
https://figshare.com/articles/journal_contribution/Exploring_Locality_in_Molecular_Dirac-Coulomb-Breit_Calculations_A_Perspective/24800196Test -
9دورية أكاديمية
المؤلفون: Wenmin Zhang, Hamed Najafabadi, Yue Li
مصطلحات موضوعية: Genetics, Space Science, Environmental Sciences not elsewhere classified, Biological Sciences not elsewhere classified, Mathematical Sciences not elsewhere classified, Information Systems not elsewhere classified, widespread linkage disequilibrium, underlying genetic architecture, summarizing posterior probabilities, reduced computation time, propose effective strategies, level causal configurations, high computational cost, multiple causal variants, identifying causal variants, five functional biomarkers, clinically relevant phenotypes, thus improve fine, integrating summary statistics, incorporate functional annotations, genome may help, div >< p, wide association studies, mapping methods conducting, functional annotations, prioritize variants, functional follow, biologically relevant, art methods, wide utility
الإتاحة: https://doi.org/10.1371/journal.pgen.1011104.s001Test
https://figshare.com/articles/journal_contribution/Supplementary_notes_/24914759Test -
10دورية أكاديمية
المؤلفون: Nick Rigel, Da-Wei Li, Rafael Brüschweiler
مصطلحات موضوعية: Biophysics, Biochemistry, Pharmacology, Biotechnology, Sociology, Inorganic Chemistry, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, web server tool, metabolites within seconds, human metabolome database, high computational cost, g ., metabolites, quantum chemical methods, empirical prediction strategy, nuclear magnetic resonance, experimental chemical shifts, c chemical shifts, 20 compounds taken, chemical shift prediction, nmr motif information, 13 sup, 1 sup, elucidating chemical structures, nmr chemical shifts, improved prediction accuracy, chemical shifts, chemical structures
الإتاحة: https://doi.org/10.1021/acs.analchem.3c03677.s001Test
https://figshare.com/articles/journal_contribution/COLMARppm_A_Web_Server_Tool_for_the_Accurate_and_Rapid_Prediction_of_sup_1_sup_H_and_sup_13_sup_C_NMR_Chemical_Shifts_of_Organic_Molecules_and_Metabolites/24919080Test