First-principles mesoscopic dynamics in heterogeneous materials

被引：0
|
作者：
机构：
来源：
| 1600年 / American Inst of Physics, Woodbury, NY, USA卷 / 75期
关键词：
D O I：
暂无
中图分类号：
学科分类号：
摘要：
引用
收藏
相关论文
共 50 条
  • [1] 1ST-PRINCIPLES MESOSCOPIC DYNAMICS IN HETEROGENEOUS MATERIALS
    PANTELIDES, ST
    JOURNAL OF APPLIED PHYSICS, 1994, 75 (07) : 3264 - 3272
  • [2] First principles molecular dynamics of heterogeneous materials
    Galli, Giulia
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2016, 252
  • [3] Massively parallel first-principles simulation of electron dynamics in materials
    Draeger, Erik W.
    Andrade, Xavier
    Gunnels, John A.
    Bhatele, Abhinav
    Schleife, Andre
    Correa, Alfredo A.
    JOURNAL OF PARALLEL AND DISTRIBUTED COMPUTING, 2017, 106 : 205 - 214
  • [4] Massively parallel first-principles simulation of electron dynamics in materials
    Draeger, Erik W.
    Andrade, Xavier
    Gunnels, John A.
    Bhatele, Abhinav
    Schleife, Andre
    Correa, Alfredo A.
    2016 IEEE 30TH INTERNATIONAL PARALLEL AND DISTRIBUTED PROCESSING SYMPOSIUM (IPDPS 2016), 2016, : 832 - +
  • [5] Materials design by first-principles
    Brgoch, Jakoah
    Seshadri, Ram
    Miller, Gordon J.
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2013, 246
  • [6] First-Principles Modeling in Heterogeneous Electrocatalysis
    Alfonso, Dominic R.
    Tafen, De Nyago
    Kauffmann, Douglas R.
    CATALYSTS, 2018, 8 (10):
  • [7] First-principles reactive molecular dynamics of chemistry in detonating energetic materials
    Landerville, A.
    Oleynik, I. I.
    Kozhushner, M. A.
    White, C. T.
    SHOCK COMPRESSION OF CONDENSED MATTER - 2007, PTS 1 AND 2, 2007, 955 : 447 - +
  • [8] First-principles dynamics of photoexcited molecules and materials towards a quantum description
    You, Peiwei
    Chen, Daqiang
    Lian, Chao
    Zhang, Cui
    Meng, Sheng
    WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE, 2021, 11 (02)
  • [9] First-Principles Approach for Coupled Quantum Dynamics of Electrons and Protons in Heterogeneous Systems
    Xu, Jianhang
    Zhou, Ruiyi
    Blum, Volker
    Li, Tao E.
    Hammes-Schiffer, Sharon
    Kanai, Yosuke
    PHYSICAL REVIEW LETTERS, 2023, 131 (23)
  • [10] First-principles study of ultrafast quasiparticle dynamics in typical quantum materials
    Zhou, Yamei
    Guan, Mengxue
    SCIENTIA SINICA-PHYSICA MECHANICA & ASTRONOMICA, 2025, 55 (01)
12345