المؤلفون: Si-Min Qi, Tao Bo, Lei Zhang, Zhi-Fang Chai, Wei-Qun Shi

المصدر: Artificial Intelligence Chemistry, Vol 2, Iss 1, Pp 100027- (2024)

مصطلحات موضوعية: LiCl-KCl, Molten salt, Machine learning, Deep potential, Transport properties, Molecular dynamics, Chemistry, QD1-999, Electronic computers. Computer science, QA75.5-76.95

وصف الملف: electronic resource

العلاقة: http://www.sciencedirect.com/science/article/pii/S2949747723000271Test; https://doaj.org/toc/2949-7477Test

الوصول الحر: https://doaj.org/article/eca0f4bfbee1472ebfc17c042b965eb1Test

المؤلفون: Dina Kussainova, Athanassios Z. Panagiotopoulos

مصطلحات موضوعية: Biophysics, Microbiology, Immunology, Chemical Sciences not elsewhere classified, technological interest even, present study establishes, observed chemical composition, ab initio <, calculated equilibrium constants, observed partial pressure, gas phase depends, direct coexistence simulations, comparing model predictions, 3 , 2 , relevant experimental measurements, available experimental measurements, observe equilibrium dissociation, overall system sizes, liquid volume ratios, dp model predictions, deep potential model, experimental measurements, deep potential, equilibrium constant, simulations covered, partial pressures, dp model, vapor phase, time scales

العلاقة: https://figshare.com/articles/journal_contribution/Molecular_Simulation_of_Lithium_Carbonate_Reactive_Vapor_Liquid_Equilibria_Using_a_Deep_Potential_Model/24911154Test

الإتاحة: https://doi.org/10.1021/acs.jced.3c00580.s001Test
https://figshare.com/articles/journal_contribution/Molecular_Simulation_of_Lithium_Carbonate_Reactive_Vapor_Liquid_Equilibria_Using_a_Deep_Potential_Model/24911154Test

المؤلفون: Ye Ding, Jing Huang

مصطلحات موضوعية: Biophysics, Biochemistry, Genetics, Biotechnology, Computational Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, many biological processes, machine learning potentials, charge transfer effects, yet accurately modeling, deep potential model, study introduces dp, 4 , 1 , zinc coordination environment, molecular dynamics zinc, molecular modeling, >< sub, zinc coordination, hybrid model, tetrahedral coordination, cys <, zinc ions, valuable tool, unique blend, studying structures, qm levels, pioneering approach

العلاقة: https://figshare.com/articles/journal_contribution/DP_MM_A_Hybrid_Model_for_Zinc_Protein_Interactions_in_Molecular_Dynamics/24977963Test

الإتاحة: https://doi.org/10.1021/acs.jpclett.3c03158.s002Test
https://figshare.com/articles/journal_contribution/DP_MM_A_Hybrid_Model_for_Zinc_Protein_Interactions_in_Molecular_Dynamics/24977963Test

المؤلفون: Dongyao Li, Dan Zhao, Yao Huang, Hujun Shen, Mingsen Deng

مصطلحات موضوعية: Medicine, Sociology, Inorganic Chemistry, Space Science, Environmental Sciences not elsewhere classified, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, Machine learning, deep potential, infrared spectra, nuclear quantum effects, DeePMD

العلاقة: https://figshare.com/articles/journal_contribution/Modelling_infrared_spectra_of_the_O-H_stretches_in_liquid_H_sub_2_sub_O_based_on_a_deep_learning_potential_the_importance_of_nuclear_quantum_effects/25408414Test

الإتاحة: https://doi.org/10.6084/m9.figshare.25408414.v1Test

المؤلفون: Yinan Wang, Bo Wen, Xingjian Jiao, Ya Li, Lei Chen, Yujin Wang, Fu-Zhi Dai

المصدر: Journal of Advanced Ceramics, Vol 12, Iss 4, Pp 803-814 (2023)

مصطلحات موضوعية: melting point (tm), carbides, carbonitrides, deep potential (dp), bayesian global optimization (bgo), Clay industries. Ceramics. Glass, TP785-869

وصف الملف: electronic resource

العلاقة: https://www.sciopen.com/article/10.26599/JAC.2023.9220721Test; https://doaj.org/toc/2226-4108Test; https://doaj.org/toc/2227-8508Test

الوصول الحر: https://doaj.org/article/bc22bab2f6254c64be1525cfdb6e8e4fTest

المؤلفون: Ye Ding, Jing Huang

المصدر: International Journal of Molecular Sciences, Vol 25, Iss 3, p 1448 (2024)

مصطلحات موضوعية: molecular dynamics, OpenMM, deep potential, machine learning potential, force field, Biology (General), QH301-705.5, Chemistry, QD1-999

وصف الملف: electronic resource

العلاقة: https://www.mdpi.com/1422-0067/25/3/1448Test; https://doaj.org/toc/1661-6596Test; https://doaj.org/toc/1422-0067Test

الوصول الحر: https://doaj.org/article/154bdb6feb824345a5a9ca4f03da565dTest

المؤلفون: Jinsen Han, Qiyu Zeng, Ke Chen, Xiaoxiang Yu, Jiayu Dai

المصدر: Nanomaterials; Volume 13; Issue 9; Pages: 1576

مصطلحات موضوعية: thermal conductivity, deep potential, phonon scattering

وصف الملف: application/pdf

العلاقة: Theory and Simulation of Nanostructures; https://dx.doi.org/10.3390/nano13091576Test

الإتاحة: https://doi.org/10.3390/nano13091576Test

المؤلفون: Hui Xu, Zeyuan Li, Zhaofu Zhang, Sheng Liu, Shengnan Shen, Yuzheng Guo

المصدر: Nanomaterials; Volume 13; Issue 8; Pages: 1352

مصطلحات موضوعية: molecular dynamics, machine learning, amorphous silicon nitride, density functional theory, deep potential

وصف الملف: application/pdf

العلاقة: Theory and Simulation of Nanostructures; https://dx.doi.org/10.3390/nano13081352Test

الإتاحة: https://doi.org/10.3390/nano13081352Test

المؤلفون: Liang, Chenxing, Aluru, Narayana R

المصدر: ACS Nano ; ISSN:1936-086X ; Volume:18 ; Issue:25

مصطلحات موضوعية: ab initio molecular dynamics, deep potential molecular dynamics, interfacial liquids, liquid/solid friction, moiré patterns, nanofluidics, twisted bilayer graphene

العلاقة: https://doi.org/10.1021/acsnano.4c00733Test; https://pubmed.ncbi.nlm.nih.gov/38856748Test

الإتاحة: https://doi.org/10.1021/acsnano.4c00733Test
https://pubmed.ncbi.nlm.nih.gov/38856748Test

المؤلفون: Yu Feng, Nicolas Brunel

مصطلحات موضوعية: Cell Biology, Genetics, Neuroscience, Physiology, Evolutionary Biology, Immunology, Infectious Diseases, Biological Sciences not elsewhere classified, power law dependence, logarithmic dependence observed, attractor neural networks, robust information storage, single quadratic potential, one potential well, dependent synaptic modifications, deep potential limit, recent results suggest, numerical results show, single well synapses, memory storage depends, synaptic efficacy, storage capacity, %22">xlink ">, widely believed, whose distribution, synapses evolve, switch synapses, sparsely encoded, small set, peaked around

العلاقة: https://figshare.com/articles/figure/Fig_1_-/25172232Test

الإتاحة: https://doi.org/10.1371/journal.pcbi.1011354.g001Test
https://figshare.com/articles/figure/Fig_1_-/25172232Test