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The emergence of machine learning force fields in drug design
期刊论文
OAI收割
MEDICINAL RESEARCH REVIEWS, 2024, 页码: 36
作者:
  |  
收藏
  |  
浏览/下载:26/0
  |  
提交时间:2024/02/19
computational chemistry
drug design
force field
machine learning
molecular modeling
Molecular dynamics simulation of the transformation of Fe-Co alloy by machine learning force field based on atomic cluster expansion
期刊论文
OAI收割
CHEMICAL PHYSICS LETTERS, 2023, 卷号: 826, 页码: 6
作者:
Li, Yongle
;
Xu, Feng
;
Hou, Long
;
Sun, Luchao
;
Su, Haijun
  |  
收藏
  |  
浏览/下载:10/0
  |  
提交时间:2024/01/07
Molecular dynamics
Atomic cluster expansion
Fe-Co Alloy
Density functional theory
Phase transition
Force field
Revisiting the structure, interaction, and dynamical property of ionic liquid from the deep learning force field
期刊论文
OAI收割
JOURNAL OF POWER SOURCES, 2023, 卷号: 555, 页码: 8
作者:
Ling, Yulong
;
Li, Kun
;
Wang, Mi
;
Lu, Junfeng
;
Wang, Chenlu
  |  
收藏
  |  
浏览/下载:29/0
  |  
提交时间:2023/02/24
Ionic liquids
Molecular dynamics simulations
Force field
Hydrogen bond
Machine learning
Entangled polarizations in ferroelectrics: A focused review of polar topologies
期刊论文
OAI收割
ACTA MATERIALIA, 2023, 卷号: 243, 页码: 37
作者:
Wang, Y. J.
;
Tang, Y. L.
;
Zhu, Y. L.
;
Ma, X. L.
  |  
收藏
  |  
浏览/下载:16/0
  |  
提交时间:2023/05/09
Polar topologies
Ferroelectric films
Aberration-corrected transmission electron
microscopy
Piezoresponse force microscopy
Phase-field simulations
Molecular dynamics simulation of phosphoric acid-based geopolymer
期刊论文
OAI收割
JOURNAL OF SOLID STATE CHEMISTRY, 2022, 卷号: 312, 期号: -, 页码: -
作者:
Huang, Kangqiao
;
Zhou, Wei
;
Hu, Haixiang
;
Liu, Xinghong
;
Chang, Xiaolin
  |  
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2023/08/02
Phosphoric acid-based geopolymer (PABG)
Molecular dynamics (MD) simulation
The modified Dreiding force field
The new macromolecular model
Structural and mechanical properties
Constructing Constraint Force Field in Musculoskeletal Robot by Co-optimizing Muscle Arrangements and Constant Activations
会议论文
OAI收割
PADUA,Italy, 2022-7-18
作者:
Zhong SL(钟汕林)
;
Zhou JJ(周俊杰)
;
Wu W(吴伟)
  |  
收藏
  |  
浏览/下载:47/0
  |  
提交时间:2022/06/14
Musculoskeletal robot
Constraint Force Field
High precision
Control Schemes of robot
Electromagnetic analyses of the CFETR TF coil terminal
期刊论文
OAI收割
FUSION ENGINEERING AND DESIGN, 2022, 卷号: 174
作者:
Wu, Fan
;
Liu, Xiaogang
;
Gao, Xiang
;
Zhu, Jiandong
;
Wang, Dongquan
  |  
收藏
  |  
浏览/下载:58/0
  |  
提交时间:2022/05/16
CFETR
TF coil
Terminal
Electromagnetic analysis
Magnetic field
Lorentz force
Phase behaviors of ionic liquids attributed to the dual ionic and organic nature
期刊论文
OAI收割
COMMUNICATIONS IN THEORETICAL PHYSICS, 2022, 卷号: 74, 期号: 9, 页码: 97601
作者:
Tang, Chenyu
;
Wang, Yanting
  |  
收藏
  |  
浏览/下载:24/0
  |  
提交时间:2023/01/16
MOLECULAR-DYNAMICS SIMULATION
COARSE-GRAINED MODELS
AB-INITIO DATA
FORCE-FIELD
NANOSTRUCTURAL ORGANIZATION
SPATIAL HETEROGENEITY
BENZENE MIXTURES
TAIL AGGREGATION
CAR-PARRINELLO
CONFINED WATER
Structure transforming for constructing constraint force field in musculoskeletal robot
期刊论文
OAI收割
ASSEMBLY AUTOMATION, 2021, 页码: 12
作者:
Zhong, Shanlin
;
Chen, Ziyu
;
Zhou, Junjie
  |  
收藏
  |  
浏览/下载:34/0
  |  
提交时间:2021/12/28
High precision
Attractive region in environment
Constraint force field
Musculoskeletal robot
Effect of Al doping on the early-stage oxidation of Ni-Al alloys: A ReaxFF molecular dynamics study
期刊论文
OAI收割
APPLIED SURFACE SCIENCE, 2021, 卷号: 563
作者:
Chen, Liu
;
Luo, Hubin
;
Li, Zhencheng
;
Sha, Aixue
  |  
收藏
  |  
浏览/下载:24/0
  |  
提交时间:2021/12/01
NICKEL-BASED SUPERALLOY
REACTIVE FORCE-FIELD
TEMPERATURE OXIDATION
BEHAVIOR
SIMULATIONS
MECHANISM
DIFFUSION