Machine learning coarse-grained model for water

被引：0
|
作者：
Chan, Henry [1 ]
Cherukara, Mathew [1 ]
Narayanan, Badri [2 ]
Loeffler, Troy [1 ]
Benmore, Chris [3 ]
Gray, Stephen [1 ]
Sankaranarayanan, Subramanian [1 ]
机构：
[1] Argonne Natl Lab, Ctr Nanoscale Mat, Lemont, IL USA
[2] Univ Louisville, Mech Engn, Louisville, KY 40292 USA
[3] Argonne Natl Lab, Xray Sci Div, Lemont, IL USA
来源：
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 2019年 / 258卷
关键词：
D O I：
暂无
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
434-COMP
引用
收藏
页数：1
相关论文
共 50 条
  • [1] A polarizable coarse-grained water model for coarse-grained proteins simulations
    Ha-Duong, Tap
    Basdevant, Nathalie
    Borgis, Daniel
    [J]. CHEMICAL PHYSICS LETTERS, 2009, 468 (1-3) : 79 - 82
  • [2] Electronically Coarse-Grained Model for Water
    Jones, A.
    Cipcigan, F.
    Sokhan, V. P.
    Crain, J.
    Martyna, G. J.
    [J]. PHYSICAL REVIEW LETTERS, 2013, 110 (22)
  • [3] Scientific Machine Learning for Coarse-Grained Constitutive Models
    Gonzalez, David
    Chinesta, Francisco
    Cueto, Elias
    [J]. 23RD INTERNATIONAL CONFERENCE ON MATERIAL FORMING, 2020, 47 : 693 - 695
  • [4] Machine learning coarse-grained potentials of protein thermodynamics
    Majewski, Maciej
    Perez, Adria
    Tholke, Philipp
    Doerr, Stefan
    Charron, Nicholas E.
    Giorgino, Toni
    Husic, Brooke E.
    Clementi, Cecilia
    Noe, Frank
    De Fabritiis, Gianni
    [J]. NATURE COMMUNICATIONS, 2023, 14 (01)
  • [5] Enhancing Coarse-Grained Models through Machine Learning
    Karmakar, Tarak
    Soares, Thereza A.
    Merz Jr, Kenneth M.
    [J]. JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2024, 64 (08) : 2931 - 2932
  • [6] Machine learning coarse-grained potentials of protein thermodynamics
    Maciej Majewski
    Adrià Pérez
    Philipp Thölke
    Stefan Doerr
    Nicholas E. Charron
    Toni Giorgino
    Brooke E. Husic
    Cecilia Clementi
    Frank Noé
    Gianni De Fabritiis
    [J]. Nature Communications, 14
  • [7] Hydrophobic interactions with coarse-grained model for water
    Egorov, S. A.
    [J]. JOURNAL OF CHEMICAL PHYSICS, 2011, 134 (23):
  • [8] Integrating Machine Learning in the Coarse-Grained Molecular Simulation of Polymers
    Ricci, Eleonora
    Vergadou, Niki
    [J]. JOURNAL OF PHYSICAL CHEMISTRY B, 2023, 127 (11): : 2302 - 2322
  • [9] Determination of Protein Coarse-Grained Potentials by Machine Learning Approaches
    Vazquez, Eric
    Thomas, Rachel
    Zamora-Resendiz, Rafael
    Tang, Yu-Hang
    Watanabe, Masakatsu
    Crivelli, Silvia
    [J]. BIOPHYSICAL JOURNAL, 2020, 118 (03) : 180A - 180A
  • [10] Coarse-grained Reconfigurable Hardware Accelerator of Machine Learning Classifiers
    Vranjkovic, Vuk
    Struharik, Rastislav
    [J]. PROCEEDINGS OF THE 23RD INTERNATIONAL CONFERENCE ON SYSTEMS, SIGNALS AND IMAGE PROCESSING, (IWSSIP 2016), 2016, : 193 - 196
12345