JournalTOCs

Advanced Theory and Simulations
Number of Followers: 5

Hybrid journal (It can contain Open Access articles)
ISSN (Online) 2513-0390
Published by John Wiley and Sons

[1762 journals]

Photonic Band Gap Material Topological Design at Specified Target
Frequency
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  Authors: Xiaopeng Zhang; Yangjun Luo, Yi Yan, Pai Liu, Zhan Kang
  Abstract: Advanced Theory and Simulations, Volume 4, Issue 10, October 2021.
  PubDate: 2021-10-04T07:34:54-07:00
  DOI: 10.1002/adts.202100125
  Issue No: Vol. 4, No. 10 (2021)
Size‐Distribution Control of Exfoliated Nanosheets Assisted by Machine
Learning: Small‐Data‐Driven Materials Science Using Sparse Modeling
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  Authors: Yuri Haraguchi; Yasuhiko Igarashi, Hiroaki Imai, Yuya Oaki
  Abstract: Advanced Theory and Simulations, Volume 4, Issue 10, October 2021.
  PubDate: 2021-10-04T07:34:54-07:00
  DOI: 10.1002/adts.202100158
  Issue No: Vol. 4, No. 10 (2021)
Metal‐Decorated Crown Ether‐Embedded Graphene Nanomeshes for Enhanced
Molecular Adsorption
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  Authors: Rohini Krishnakumar; Anto James, Rotti Srinivasamurthy Swathi
  Abstract: Advanced Theory and Simulations, Volume 4, Issue 10, October 2021.
  PubDate: 2021-10-04T07:34:54-07:00
  DOI: 10.1002/adts.202100202
  Issue No: Vol. 4, No. 10 (2021)
Synthesizable Double Perovskite Oxide Search via Machine Learning and
High‐Throughput Computational Screening
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  Authors: Joonchul Kim; Eunsong Kim, Kyoungmin Min
  Abstract: Advanced Theory and Simulations, Volume 4, Issue 10, October 2021.
  PubDate: 2021-10-04T07:34:54-07:00
  DOI: 10.1002/adts.202100263
  Issue No: Vol. 4, No. 10 (2021)
Exploring the Regulatory Function of the N‐terminal Domain of
SARS‐CoV‐2 Spike Protein through Molecular Dynamics Simulation
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  Authors: Yao Li; Tong Wang, Juanrong Zhang, Bin Shao, Haipeng Gong, Yusong Wang, Xinheng He, Siyuan Liu, Tie‐Yan Liu
  Abstract: Advanced Theory and Simulations, Volume 4, Issue 10, October 2021.
  PubDate: 2021-10-04T07:34:54-07:00
  DOI: 10.1002/adts.202100152
  Issue No: Vol. 4, No. 10 (2021)
Ionic Conductivity of Nanopores with Electrically Conductive Surface:
Comparison Between 1D and 2D Models
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  Authors: Artur I. Krom; Ilya I. Ryzhkov
  Abstract: Advanced Theory and Simulations, Volume 4, Issue 10, October 2021.
  PubDate: 2021-10-04T07:34:54-07:00
  DOI: 10.1002/adts.202100174
  Issue No: Vol. 4, No. 10 (2021)
BAR‐Based Multi‐Dimensional Nonequilibrium Pulling for Indirect
Construction of QM/MM Free Energy Landscapes: Varying the QM Region
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  Authors: Zhaoxi Sun; Zhirong Liu
  Abstract: Advanced Theory and Simulations, Volume 4, Issue 10, October 2021.
  PubDate: 2021-10-04T07:34:54-07:00
  DOI: 10.1002/adts.202100185
  Issue No: Vol. 4, No. 10 (2021)
Structural, Electronic, and Mechanical Properties of 2D Oxidized Diamond
(100) Nanofilms
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  Authors: Yaning Liu; Mengmeng Gong, Suna Jia, Nan Gao, Hongdong Li
  Abstract: Advanced Theory and Simulations, Volume 4, Issue 10, October 2021.
  PubDate: 2021-10-04T07:34:54-07:00
  DOI: 10.1002/adts.202100165
  Issue No: Vol. 4, No. 10 (2021)
Masthead (Adv. Theory Simul. 10/2021)
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  Abstract: Advanced Theory and Simulations, Volume 4, Issue 10, October 2021.
  PubDate: 2021-10-04T07:34:54-07:00
  DOI: 10.1002/adts.202170024
  Issue No: Vol. 4, No. 10 (2021)
Size‐Distribution Control of Exfoliated Nanosheets Assisted by Machine
Learning: Small‐Data‐Driven Materials Science Using Sparse Modeling
(Adv. Theory Simul. 10/2021)
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  Authors: Yuri Haraguchi; Yasuhiko Igarashi, Hiroaki Imai, Yuya Oaki
  Abstract: Advanced Theory and Simulations, Volume 4, Issue 10, October 2021.
  PubDate: 2021-10-04T07:34:54-07:00
  DOI: 10.1002/adts.202170025
  Issue No: Vol. 4, No. 10 (2021)
Photonic Band Gap Material Topological Design at Specified Target
Frequency (Adv. Theory Simul. 10/2021)
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  Authors: Xiaopeng Zhang; Yangjun Luo, Yi Yan, Pai Liu, Zhan Kang
  Abstract: Advanced Theory and Simulations, Volume 4, Issue 10, October 2021.
  PubDate: 2021-10-04T07:34:54-07:00
  DOI: 10.1002/adts.202170022
  Issue No: Vol. 4, No. 10 (2021)
Exploring the Regulatory Function of the N‐terminal Domain of
SARS‐CoV‐2 Spike Protein through Molecular Dynamics Simulation (Adv.
Theory Simul. 10/2021)
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  Authors: Yao Li; Tong Wang, Juanrong Zhang, Bin Shao, Haipeng Gong, Yusong Wang, Xinheng He, Siyuan Liu, Tie‐Yan Liu
  Abstract: Advanced Theory and Simulations, Volume 4, Issue 10, October 2021.
  PubDate: 2021-10-04T07:34:54-07:00
  DOI: 10.1002/adts.202170023
  Issue No: Vol. 4, No. 10 (2021)
Air Quality Index Prediction Based on an Adaptive Dynamic Particle Swarm
Optimized Bidirectional Gated Recurrent Neural Network–China Region
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  Authors: Ping Li; Shengwei Wang, Hao Ji, Yulin Zhan, Honghong Li
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2021-10-28T09:52:53-07:00
  DOI: 10.1002/adts.202100220
Electric Load Forecasting based on Wavelet Transform and Random Forest
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  Authors: Li‐Ling Peng; Guo‐Feng Fan, Meng Yu, Yu‐Chen Chang, Wei‐Chiang Hong
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2021-10-27T09:37:58-07:00
  DOI: 10.1002/adts.202100334
Structural Evolution and Electronic Properties of Intermediate Sized Tin
(n=33--60) Clusters
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  Authors: Peter L. Rodríguez‐Kessler; Adán R. Rodríguez‐Domínguez, Alvaro Muñoz‐Castro
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2021-10-25T06:36:15-07:00
  DOI: 10.1002/adts.202100283
An Intelligent Tunicate Swarm Algorithm Based MPPT Control Strategy for
Multiple Configurations of PV Systems Under Partial Shading Conditions
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  Authors: Majad Mansoor; Adeel Feroz Mirza, Fei Long, Qiang Ling
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2021-10-25T06:27:50-07:00
  DOI: 10.1002/adts.202100246
Model‐Based Investigation of Trap‐Assisted Recombination in
Photoelectrodes for Water Splitting
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  Authors: Peter Cendula; Anmol Sancheti, Pavel Simon
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2021-10-22T04:10:47-07:00
  DOI: 10.1002/adts.202100312
Analytical Model of the Piezoresistive Behavior of Highly Compressible
Sensors Made of Microporous Nanocomposites
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  Authors: Jianpeng Zhang; Ziya Wang, Zhengchun Peng
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2021-10-18T07:46:48-07:00
  DOI: 10.1002/adts.202100247
Simulating Facet‐Dependent Aggregation and Assembly of Mixtures of
Polyhedral Nanoparticles
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  Authors: George Opletal; Amanda S. Barnard
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2021-10-17T10:52:49-07:00
  DOI: 10.1002/adts.202100279
Parametric Analysis of Variable Stator Vane System in Gas Turbines Based
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  Authors: Xingyun Jia; Dengji Zhou, Dawen Huang, Wang Xiao, Luyao Xu, Jiarui Hao
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2021-10-17T10:25:51-07:00
  DOI: 10.1002/adts.202100286
3D Porous Metallic Boron Carbide Crystal Structure with Excellent
Ductility
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  Authors: Kashif Hussain; Imran Muhammad, Wei Wu, Yu Qie, Tariq Mahmood, Qiang Sun
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2021-10-17T10:24:51-07:00
  DOI: 10.1002/adts.202100325
Revival Oscillations in a Closed Bromate‐1,4‐Cyclohexanedione‐Acid
System with Ferroin
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  Authors: Petteri Kettunen; Do Sung Huh, István Szalai, Tomohiko Yamaguchi
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2021-10-15T01:17:13-07:00
  DOI: 10.1002/adts.202100277
A Novel Neural Network Cell Method for Solving Nonlinear Electromagnetic
Problems
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  Authors: Gaojia Zhu; Longnv Li, Weinong Fu, Ming Xue, Tao Liu, Jianguo Zhu
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2021-10-13T02:02:31-07:00
  DOI: 10.1002/adts.202100216
Magnetic Driven Double Curved Conical Microhelical Robot
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  Authors: Jieqiong Lin; Zhenyan Zhu, Xian Jing, Mingming Lu, Yan Gu
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2021-10-13T02:02:06-07:00
  DOI: 10.1002/adts.202100189
A Precisely‐Controlled Multichannel Phononic Crystal Resonant Cavity
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  Authors: Xiaopeng Zhang; Zhiyuan Jia, Yangjun Luo, Yaguang Wang, Pai Liu, Zhan Kang
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2021-10-10T10:43:04-07:00
  DOI: 10.1002/adts.202100250
Data Science Applied to Carbon Materials: Synthesis, Characterization, and
Applications
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  Authors: Aaron Morelos‐Gomez; Mauricio Terrones, Morinobu Endo
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2021-10-08T09:43:00-07:00
  DOI: 10.1002/adts.202100205
Efficient 2T CsKPb(IBr)3—Tin Incorporated Narrow Bandgap Perovskite
Tandem Solar Cells: A Numerical Study with Current Matching Conditions
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  Authors: Sekar Karthick; Onyekachi Michael Nwakanma, Babudurai Mercyrani, Johann Bouclé, Subramaniam Velumani
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2021-10-07T12:41:52-07:00
  DOI: 10.1002/adts.202100121
Spin‐Dependent Electronic Structure and Magnetic Properties of 2D JANUS
Mn2CFCl/CuBiP2Se6 Van Der Waals Multiferroic Heterostructures
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  Authors: Luqian Fu; Xiaocha Wang, Wenbo Mi
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2021-10-07T12:20:05-07:00
  DOI: 10.1002/adts.202100302
Implementing Machine Learning in Laboratory Synthesis by Hybrid of SVR
Model and Optimization Algorithms
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  Authors: Tolou Pourashraf; Saeid Shokri, Mohammad Yousefi, Abbas Ahmadi, Parviz Aberoomand Azar
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2021-10-05T10:47:44-07:00
  DOI: 10.1002/adts.202100225
Implicit Approximate Crank–Nicolson Theory for Anisotropic Ferrite
Structure Simulation with Enhanced Absorption
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  Authors: Peiyu Wu; Yongjun Xie, Haolin Jiang, Hanyi Di, Toshiaki Natsuki
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2021-10-04T12:28:00-07:00
  DOI: 10.1002/adts.202000309
Large Magnetoresistance in Scandium Nitride Magnetic Tunnel Junctions
Using First Principles
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  Authors: Suyogya Karki; Vivian Rogers, Priyamvada Jadaun, Daniel S. Marshall, Jean Anne C. Incorvia
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2021-10-04T12:26:26-07:00
  DOI: 10.1002/adts.202100309
Design of a Stable Heusler Alloy with Switchable Metal‐to‐Half‐Metal
Transition at Finite Temperature
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  Authors: Vasiliy D. Buchelnikov; Vladimir V. Sokolovskiy, Olga N. Miroshkina, Danil R. Baigutlin, Mikhail A. Zagrebin, Bernardo Barbiellini, Bahadur Singh, Arun Bansil, Erkki Lähderanta
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2021-10-04T10:40:19-07:00
  DOI: 10.1002/adts.202100311
Computational Study on Sensing Properties of Pd‐Decorated Phosphorene
for Detecting Acetone, Ethanol, Methanol, and Toluene—A Density
Functional Theory Investigation
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  Authors: Aref Aasi; Sadegh Mehdi Aghaei, Sahar Ebrahimi Bajgani, Balaji Panchapakesan
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2021-10-04T10:36:33-07:00
  DOI: 10.1002/adts.202100256
Estimation of State of Charge and State of Health of Lithium‐Ion
Batteries Based on a New Adaptive Nonlinear Observer
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  Authors: Rajakumar Sakile; Umesh Kumar Sinha
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2021-10-04T10:36:21-07:00
  DOI: 10.1002/adts.202100258
A Cognitive Control Approach for Networked Control Systems with Random
Packet Losses
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  Authors: Shuti Wang; Xunhe Yin, Peng Li, Xin Wang, Ge Wang, Jiankun Hu
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2021-10-04T01:25:20-07:00
  DOI: 10.1002/adts.202100163
Vertically Stacked Soliton‐Like Domain Walls in Nematic Liquid
Crystals
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  Authors: Reed Jones; Olha Melnyk, Rair Macêdo, Robert E. Camley
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2021-10-04T01:06:18-07:00
  DOI: 10.1002/adts.202100252
PyCCE: A Python Package for Cluster Correlation Expansion Simulations of
Spin Qubit Dynamics
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  Authors: Mykyta Onizhuk; Giulia Galli
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2021-10-03T11:17:24-07:00
  DOI: 10.1002/adts.202100254
Exact Mobility Edges in 1D Mosaic Lattices Inlaid with Slowly Varying
Potentials
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  Authors: Long‐Yan Gong; Hui Lu, Wei‐Wen Cheng
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2021-10-03T11:08:08-07:00
  DOI: 10.1002/adts.202100135
Adsorption of Water Molecules on Pristine and Defective NiPX3 (X: S, Se)
Monolayers
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  Authors: Zhicheng Wu; Sifan Xu, Yong Zhou, Qilin Guo, Yuriy Dedkov, Elena Voloshina
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2021-10-03T11:02:03-07:00
  DOI: 10.1002/adts.202100182
3‐D Modeling of Ultrathin Solar Cells with Nanostructured Dielectric
Passivation: Case Study of Chalcogenide Solar Cells
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  Authors: Waseem Raja; Erkan Aydin, Thomas G. Allen, Stefaan De Wolf
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2021-09-09T08:30:31-07:00
  DOI: 10.1002/adts.202100191
Interaction of Potential Sources in Infinite 2D Arrays: Diffusion through
Composite Membranes, Micro‐Electrochemistry, Entrance Resistance, and
Other Examples
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  Authors: Andriy Yaroshchuk; M. P. Bondarenko
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2021-09-09T08:30:09-07:00
  DOI: 10.1002/adts.202100128
Perovskite La0.3Sr0.7Fe0.7Cr0.3O3−δ Catalysis Raises the Bar:
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  Authors: Vicky Fidelsky Kozokaro; Maytal Caspary Toroker
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2021-08-07T12:22:14-07:00
  DOI: 10.1002/adts.202100173
Quadrupole Last‐Passage Algorithm for Charge Density on an
L‐Shaped Conducting Surface
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  Authors: Hoseung Jang; Jongmin Park, Unjong Yu, Chi‐Ok Hwang
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2021-08-07T12:20:36-07:00
  DOI: 10.1002/adts.202100180