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科研机构
北京大学 [16]
内容类型
期刊论文 [12]
其他 [4]
发表日期
2017 [1]
2016 [3]
2015 [1]
2014 [2]
2013 [3]
2011 [1]
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专题:北京大学
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A unified thermostat scheme for efficient configurational sampling for classical/quantum canonical ensembles via molecular dynamics
期刊论文
JOURNAL OF CHEMICAL PHYSICS, 2017
Zhang, Zhijun
;
Liu, Xinzijian
;
Chen, Zifei
;
Zheng, Haifeng
;
Yan, Kangyu
;
Liu, Jian
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2017/12/03
DISSIPATIVE PARTICLE DYNAMICS
MONTE-CARLO SIMULATIONS
PATH-INTEGRAL METHODS
MANY-BODY SYSTEMS
SYMPLECTIC INTEGRATORS
STATISTICAL PHYSICS
LANGEVIN DYNAMICS
QUANTUM-SYSTEMS
ALGORITHMS
WATER
Folding Simulations of an alpha-Helical Hairpin Motif alpha t alpha with Residue-Specific Force Fields
期刊论文
JOURNAL OF PHYSICAL CHEMISTRY B, 2016
Zeng, Juan
;
Jiang, Fan
;
Wu, Yun-Dong
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2017/12/03
DE-NOVO DESIGN
EXCHANGE MOLECULAR-DYNAMICS
LINEAR CONSTRAINT SOLVER
MONTE-CARLO SIMULATIONS
BETA-HAIRPIN
ENGRAILED HOMEODOMAIN
SECONDARY STRUCTURE
AQUEOUS-SOLUTION
BUNDLE PROTEIN
HYDROGEN-BONDS
A Novel Scatter Correction Method for Cone-Beam Computed Tomography
期刊论文
JOURNAL OF COMPUTER ASSISTED TOMOGRAPHY, 2016
Zhou, Kun
;
Tian, Jian
;
Meng, Xiangxi
;
Yang, Kun
;
Xu, Baixuan
;
Yang, Zhi
;
Ren, Qiushi
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2017/12/03
CBCT
Klein-Nishina
scatter
MONTE-CARLO SIMULATIONS
CORRECTION ALGORITHM
PRIMARY MODULATION
RADIATION-THERAPY
CT
REMOVAL
Probabilistic collocation method for strongly nonlinear problems: 3. Transform by time
期刊论文
WATER RESOURCES RESEARCH, 2016
Liao, Qinzhuo
;
Zhang, Dongxiao
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2017/12/03
uncertainty quantification
probabilistic collocation method
transform by time
nonlinear problems
POLYNOMIAL CHAOS EXPANSION
GLOBAL SENSITIVITY-ANALYSIS
MONTE-CARLO SIMULATIONS
UNCERTAINTY QUANTIFICATION
DIFFERENTIAL-EQUATIONS
CONTAMINANT TRANSPORT
RISK-ASSESSMENT
EFFICIENT
FLOW
MEDIA
Comparison of deterministic and stochastic methods for time-dependent Wigner simulations
其他
2015-01-01
Shao, Sihong
;
Sellier, Jean Michel
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2017/12/03
Quantum mechanics
Wigner formalism
Monte Carlo methods
Spectral element methods
Signed particles
Time-dependent simulations
QUANTUM-MECHANICS
PHASE-SPACE
EQUILIBRIUM
TRANSPORT
STATES
Simulation of an Diode by Using Globally-Hyperbolically-Closed High-Order Moment Models
其他
2014-01-01
Hu, Zhicheng
;
Li, Ruo
;
Lu, Tiao
;
Wang, Yanli
;
Yao, Wenqi
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2015/11/10
High-order moment equations
Boltzmann transport equation
Extended hydrodynamic models
Semiconductor device simulation
BOLTZMANN-EQUATION
DEVICE SIMULATIONS
MONTE-CARLO
SEMICONDUCTORS
ELECTRONS
Combine umbrella sampling with integrated tempering method for efficient and accurate calculation of free energy changes of complex energy surface
期刊论文
journal of chemical physics, 2014
Yang, Mingjun
;
Yang, Lijiang
;
Gao, Yiqin
;
Hu, Hao
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2015/11/11
MOLECULAR-DYNAMICS SIMULATIONS
HISTOGRAM ANALYSIS METHOD
MONTE-CARLO
MULTICANONICAL ENSEMBLE
LIKELIHOOD APPROACH
PHASE-TRANSITIONS
SLOW-GROWTH
DISTRIBUTIONS
THERMODYNAMICS
BIOMOLECULES
Facile implementation of integrated tempering sampling method to enhance the sampling over a broad range of temperatures
期刊论文
化学物理学杂志, 2013
Zhao, Peng
;
Yang, Li Jiang
;
Gao, Yi Qin
;
Lu, Zhong-Yuan
收藏
  |  
浏览/下载:1/0
  |  
提交时间:2015/11/11
Enhanced sampling
Molecular simulation
MOLECULAR-DYNAMICS SIMULATIONS
MONTE-CARLO
FREE-ENERGY
GLASS-TRANSITION
ENSEMBLE
ALGORITHMS
DISTRIBUTIONS
EFFICIENT
STATE
Critical conditions of polymer chromatography: An insight from SCFT modeling
期刊论文
journal of chemical physics, 2013
Yang, Shuang
;
Neimark, Alexander V.
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2015/11/10
MONTE-CARLO SIMULATIONS
GEL-PERMEATION CHROMATOGRAPHY
LIQUID-CHROMATOGRAPHY
CHEMICAL-COMPOSITION
GRADIENT SEPARATION
COPOLYMER RETENTION
SYNTHETIC-POLYMERS
EXCLUDED-VOLUME
CRITICAL-POINT
PORE-SIZE
Impact of Junction Nonabruptness on Random-Discrete-Dopant Induced Variability in Intrinsic Channel Trigate Metal-Oxide-Semiconductor Field-Effect Transistors
期刊论文
日本应用物理学杂志, 2013
Wei, Kang Liang
;
Liu, Xiao Yan
;
Du, Gang
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2015/11/13
DRIFT-DIFFUSION SIMULATIONS
MONTE-CARLO-SIMULATION
MOSFETS
ATOMS
FLUCTUATION
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