يعرض 1 - 20 نتائج من 2,671,863 نتيجة بحث عن '"DYNAMICS"', وقت الاستعلام: 0.66s تنقيح النتائج
  1. 1
    Academic Journal
    Elucidating and contrasting the mechanisms for Mg and Ca sulfate ion-pair formation with multi-level embedded quantum mechanics/molecular dynamics simulations.

    المؤلفون: Boyn, Jan-Niklas1 (AUTHOR), Carter, Emily A.1,2,3 (AUTHOR) eac@princeton.edu

    المصدر: Journal of Chemical Physics. 12/14/2024, Vol. 161 Issue 22, p1-13. 13p.

    مصطلحات موضوعية: *MOLECULAR dynamics, *QUANTUM mechanics, *ION pairs, *SULFATE minerals, *STRUCTURAL dynamics


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  2. 2
    Academic Journal
    Influence of Digital Communication Configuration in Virtual Teams: A Faultline Perspective.

    المؤلفون: Wong, Sut I1 (AUTHOR) sut.i.wong@bi.no, Zhang, Limei2 (AUTHOR) zlm0705@xjtu.edu.cn, Černe, Matej3 (AUTHOR) matej.cerne@ef.uni-lj.si, Moe, Nils Brede4 (AUTHOR) nils.b.moe@sintef.no

    المصدر: Journal of Management Information Systems. 2024, Vol. 41 Issue 4, p1111-1141. 31p.

    مصطلحات موضوعية: *VIRTUAL communications, *VIRTUAL work, *DIGITAL communications, GROUP dynamics, SOCIAL groups


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  3. 3
    Academic Journal
    Towards resilience in Industry 5.0: application of system dynamics in matrix-structured manufacturing system.

    المؤلفون: Wang, Miao1 (AUTHOR), Tong, Yifei1 (AUTHOR) tyf51129@aliyun.com, Zhuang, Cunbo2 (AUTHOR)

    المصدر: International Journal of Production Research. Nov2024, p1-25. 25p. 12 Illustrations.

    مصطلحات موضوعية: *MANUFACTURING processes, *STRATEGIC planning, *RESOURCE management, *MANUFACTURING industries, SYSTEM dynamics


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  4. 4
    Academic Journal
    The spallation characteristics of polycrystalline aluminum with helium bubbles under a wide range of shock stresses.

    المؤلفون: Zhou, Tingting1 (AUTHOR) zhou_tingting@iapcm.ac.cn, Zhang, Weiyi1 (AUTHOR), Zhao, Fuqi1 (AUTHOR), He, Anmin1 (AUTHOR), Wang, Pei1 (AUTHOR)

    المصدر: Journal of Applied Physics. 1/21/2025, Vol. 137 Issue 3, p1-18. 18p.

    مصطلحات موضوعية: *DISCONTINUOUS precipitation, *MOLECULAR dynamics, *METAL fractures, *DEFORMATIONS (Mechanics), *CRYSTAL grain boundaries


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  5. 5
    Academic Journal
    Enhanced sampling of robust molecular datasets with uncertainty-based collective variables.

    المؤلفون: Tan, Aik Rui1 (AUTHOR), Dietschreit, Johannes C. B.1,2 (AUTHOR), Gómez-Bombarelli, Rafael1 (AUTHOR) johannes.dietschreit@univie.ac.at

    المصدر: Journal of Chemical Physics. 1/21/2025, Vol. 162 Issue 3, p1-13. 13p.

    مصطلحات موضوعية: *MACHINE learning, *MOLECULAR dynamics, *POTENTIAL energy surfaces, *MOLECULAR shapes, *CONFIGURATION space


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  6. 6
    Academic Journal
    Motif-driven dynamics and intermediates during unfolding of multi-domain BphC enzyme.

    المؤلفون: He, Jianfeng1 (AUTHOR) hjf@bit.edu.cn, Li, Jing2 (AUTHOR)

    المصدر: Journal of Chemical Physics. 1/21/2025, Vol. 162 Issue 3, p1-11. 11p.

    مصطلحات موضوعية: *POLYCHLORINATED biphenyls, *MOLECULAR dynamics, *PROTEIN folding, *ENZYMES, *PROTEINS


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  7. 7
    Academic Journal
    The evolution of the Amber additive protein force field: History, current status, and future.

    المؤلفون: Wang, Xianwei1 (AUTHOR), Xiong, Danyang2 (AUTHOR), Zhang, Yueqing2 (AUTHOR), Zhai, Jihang2 (AUTHOR), Gu, Yu-Cheng3 (AUTHOR), He, Xiao2,4,5 (AUTHOR) xiaohe@phy.ecnu.edu.cn

    المصدر: Journal of Chemical Physics. 1/21/2025, Vol. 162 Issue 3, p1-19. 19p.

    مصطلحات موضوعية: *MOLECULAR force constants, *MOLECULAR dynamics, *BIOMOLECULES, *RESEARCH personnel, *PARAMETERIZATION


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  8. 8
    Academic Journal
    Toward mitigating the impact of non-bulk defects on describing water structure in salt aqueous solutions: Characterizing solution density with a network-based structural indicator.

    المؤلفون: Han, Jiale1 (AUTHOR), Gao, Yitian1 (AUTHOR), Feng, Yixuan1 (AUTHOR), Yu, Zhiwu2 (AUTHOR), Wu, Jian3 (AUTHOR), Fang, Hongwei1 (AUTHOR) fanghw@tsinghua.edu.cn

    المصدر: Journal of Chemical Physics. 1/14/2025, Vol. 162 Issue 2, p1-15. 15p.

    مصطلحات موضوعية: *MOLECULAR dynamics, *SALINE waters, *NUMBER concept, *GRAPH theory, *TEMPERATURE effect


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  9. 9
    Academic Journal
    Dynamical properties of hydrogen fluid at high pressures.

    المؤلفون: Gliaudelis, G.1 (AUTHOR), Lukyanchuk, V.1,2 (AUTHOR), Chtchelkatchev, N.3 (AUTHOR), Saitov, I.4 (AUTHOR) ilnur.saitov@univaq.it, Kondratyuk, N.1,2,5 (AUTHOR) kondratyuk@phystech.su

    المصدر: Journal of Chemical Physics. 1/14/2025, Vol. 162 Issue 2, p1-10. 10p.

    مصطلحات موضوعية: *MOLECULAR dynamics, *PROPERTIES of fluids, *PHASE transitions, *FLUID pressure, *DIFFUSION coefficients


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  10. 10
    Academic Journal
    Supercarbon assembly inspired two-dimensional hourglass fermion.

    المؤلفون: Xiong, Mo1 (AUTHOR), Yang, Tao1 (AUTHOR) taoyang1@xjtu.edu.cn

    المصدر: Journal of Chemical Physics. 1/14/2025, Vol. 162 Issue 2, p1-9. 9p.

    مصطلحات موضوعية: *MOLECULAR dynamics, *FERMI level, *DEFORMATIONS (Mechanics), *ELECTRONIC materials, *ELECTRONIC structure, *BORON nitride


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  11. 11
    Academic Journal
    Newton's algorithm for discrete classical dynamics.

    المؤلفون: Toxvaerd, Søren1 (AUTHOR) st@ruc.dk

    المصدر: Journal of Chemical Physics. 1/14/2025, Vol. 162 Issue 2, p1-5. 5p.

    مصطلحات موضوعية: *ANGULAR momentum (Mechanics), *MOLECULAR dynamics, *HEAT capacity, *POTENTIAL energy, *ALGORITHMS


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  12. 12
    Academic Journal
    Machine learning accelerated nonadiabatic dynamics simulations of materials with excitonic effects.

    المؤلفون: Wang, Sheng-Rui1 (AUTHOR), Fang, Qiu1 (AUTHOR), Liu, Xiang-Yang2 (AUTHOR) ganglong.cui@bnu.edu.cn, Fang, Wei-Hai1 (AUTHOR), Cui, Ganglong1 (AUTHOR) xiangyangliu@sicnu.edu.cn

    المصدر: Journal of Chemical Physics. 1/14/2025, Vol. 162 Issue 2, p1-15. 15p.

    مصطلحات موضوعية: *MOLECULAR dynamics, *MACHINE learning, *DENSITY functional theory, *MONOMOLECULAR films, *SILICON


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  13. 13
    Academic Journal
    Million-atom heat transport simulations of polycrystalline graphene approaching first-principles accuracy enabled by neuroevolution potential on desktop GPUs.

    المؤلفون: Zhou, Xiaoye1 (AUTHOR), Liu, Yuqi1 (AUTHOR), Tang, Benrui1 (AUTHOR), Wang, Junyuan1 (AUTHOR), Dong, Haikuan1 (AUTHOR) donghaikuan@163.com, Xiu, Xiaoming1 (AUTHOR), Chen, Shunda2 (AUTHOR), Fan, Zheyong1 (AUTHOR)

    المصدر: Journal of Applied Physics. 1/7/2025, Vol. 137 Issue 1, p1-8. 8p.

    مصطلحات موضوعية: *CRYSTAL grain boundaries, *MOLECULAR dynamics, *HEATING, *SCIENTIFIC community, *GRAPHENE, *THERMAL conductivity, *PHONON scattering


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  14. 14
    Academic Journal
    Endohedral vs exohedral boron in C60: Bonding nature and impact on hot-electron relaxation dynamics.

    المؤلفون: Xu, Jianzhi1 (AUTHOR), Guo, Zhi-Xin2 (AUTHOR), Hou, Gao-Lei1 (AUTHOR) gaolei.hou@xjtu.edu.cn

    المصدر: Journal of Chemical Physics. 1/7/2025, Vol. 162 Issue 1, p1-9. 9p.

    مصطلحات موضوعية: *ELECTROPHILES, *MOLECULAR dynamics, *BAND gaps, *SOLAR cells, *BORON


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  15. 15
    Academic Journal
    Loss of structural specificity in 3D genome organization upon viral infection is predicted by polymer physics.

    المؤلفون: Fontana, Andrea1 (AUTHOR), Bianco, Simona1 (AUTHOR), Tafuri, Fabrizio1 (AUTHOR), Esposito, Andrea1 (AUTHOR), Abraham, Alex1 (AUTHOR), Conte, Mattia1 (AUTHOR), Vercellone, Francesca2 (AUTHOR), Di Pierno, Florinda2 (AUTHOR), Kundu, Sumanta1 (AUTHOR), Guha, Sougata1 (AUTHOR), Di Carluccio, Ciro2 (AUTHOR), Prisco, Antonella3 (AUTHOR), Nicodemi, Mario1,4 (AUTHOR), Chiariello, Andrea M.1 (AUTHOR) andreamaria.chiariello@na.infn.it

    المصدر: Journal of Chemical Physics. 1/7/2025, Vol. 162 Issue 1, p1-11. 11p.

    مصطلحات موضوعية: *MOLECULAR dynamics, *VIRUS diseases, *CHROMATIN, *CELLULAR control mechanisms, *CLUSTER analysis (Statistics)


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  16. 16
    Academic Journal
    h-CMD: An efficient hybrid fast centroid and quasi-centroid molecular dynamics method for the simulation of vibrational spectra.

    المؤلفون: Limbu, Dil K.1 (AUTHOR), London, Nathan1 (AUTHOR), Faruque, Md Omar1 (AUTHOR), Momeni, Mohammad R.1 (AUTHOR) mmomenitaheri@umkc.edu

    المصدر: Journal of Chemical Physics. 1/7/2025, Vol. 162 Issue 1, p1-12. 12p.

    مصطلحات موضوعية: *CURVILINEAR coordinates, *MOLECULAR dynamics, *CONDENSED matter, *INFRARED spectra, *PATH integrals


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  17. 17
    Academic Journal
    Anisotropic interactions for continuum modeling of protein–membrane systems.

    المؤلفون: Oppelstrup, T.1 (AUTHOR), Stanton, L. G.2 (AUTHOR), Tempkin, J. O. B.1 (AUTHOR), Ozturk, T. N.1 (AUTHOR), Ingólfsson, H. I.1 (AUTHOR), Carpenter, T. S.1 (AUTHOR) carpenter36@llnl.gov

    المصدر: Journal of Chemical Physics. 12/28/2024, Vol. 161 Issue 24, p1-13. 13p.

    مصطلحات موضوعية: *MOLECULAR dynamics, *CELL membranes, *MEMBRANE proteins, *DENSITY functional theory, *MOLECULAR interactions, *G protein coupled receptors


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  18. 18
    Academic Journal
    Decomposition of friction coefficients to analyze hydration effects on a C60(OH)n.

    المؤلفون: Iwashita, Tomoya1 (AUTHOR), Uematsu, Yuki2 (AUTHOR), Terazima, Masahide3 (AUTHOR), Akiyama, Ryo1 (AUTHOR) rakiyama@chem.kyushu-univ.jp

    المصدر: Journal of Chemical Physics. 12/28/2024, Vol. 161 Issue 24, p1-15. 15p.

    مصطلحات موضوعية: *MOLECULAR dynamics, *SURFACE roughness, *DIFFUSION coefficients, *FUNCTIONAL groups, *FRICTION


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  19. 19
    Academic Journal
    Molecular dynamics studies of knotted polymers.

    المؤلفون: DelloStritto, Mark1 (AUTHOR) tuh39227@temple.edu, Micheletti, Cristian2 (AUTHOR), Klein, Michael L.1 (AUTHOR)

    المصدر: Journal of Chemical Physics. 12/28/2024, Vol. 161 Issue 24, p1-11. 11p.

    مصطلحات موضوعية: *POTENTIAL energy surfaces, *MOLECULAR dynamics, *ELECTRONIC structure, *MACHINE learning, *POLYMERS


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  20. 20
    Academic Journal
    Short-time collective dynamics of an ionic liquid: A computer simulation study with non-polarizable and polarizable models, and ab initio molecular dynamics.

    المؤلفون: Paschoal, Vitor Hugo1 (AUTHOR), Ribeiro, Mauro C. C.1 (AUTHOR) mccribei@iq.usp.br

    المصدر: Journal of Chemical Physics. 12/28/2024, Vol. 161 Issue 24, p1-10. 10p.

    مصطلحات موضوعية: *MOLECULAR dynamics, *INELASTIC scattering, *X-ray scattering, *COMPUTER simulation, *DIFFUSION coefficients


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