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

[1765 journals]

Simulation of Factor on SOC Inconsistency within a Series‐Connected
Lithium‐Ion Battery Pack
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  Authors: Yanqin Zhang; Ran Yang, Rongchen Chi
  Abstract: Advanced Theory and Simulations, Volume 5, Issue 12, December 2022.
  PubDate: 2022-12-11T12:00:00-08:00
  DOI: 10.1002/adts.202200288
  Issue No: Vol. 5, No. 12 (2022)
Palladium Based Microwave Resonant Hydrogen Sensor
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  Authors: Muhammed S. Boybay; Kenan Cicek
  Abstract: Advanced Theory and Simulations, Volume 5, Issue 12, December 2022.
  PubDate: 2022-12-11T12:00:00-08:00
  DOI: 10.1002/adts.202200396
  Issue No: Vol. 5, No. 12 (2022)
Functionalized 3D Covalent Organic Frameworks for High‐Performance CO2
Capture and Separation over N2
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  Authors: Shuxian Wei; Huili Xin, Maohuai Wang, Shengyu Xu, Wanru Zhai, Sen Liu, Lu Wang, Siyuan Liu, Zhaojie Wang, Xiaoqing Lu
  Abstract: Advanced Theory and Simulations, Volume 5, Issue 12, December 2022.
  PubDate: 2022-12-11T12:00:00-08:00
  DOI: 10.1002/adts.202200588
  Issue No: Vol. 5, No. 12 (2022)
Axle Box Resonance Excitation Model Based on Wheelset Polygon and Its
Resonance Characteristic Analysis in High‐Speed Train
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  Authors: Cai Yi; Haoxiang Huo, Xiaokang Liao, Hao Wang, Jianhui Lin
  Abstract: Advanced Theory and Simulations, Volume 5, Issue 12, December 2022.
  PubDate: 2022-12-11T12:00:00-08:00
  DOI: 10.1002/adts.202200477
  Issue No: Vol. 5, No. 12 (2022)
Energy and Frequency Characteristics of Microseismic Particles in a
Complex Geological Model
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  Authors: Linli Zhou; Baoxin Jia, Kenan Zheng, Hao Chen, Long Zhao
  Abstract: Advanced Theory and Simulations, Volume 5, Issue 12, December 2022.
  PubDate: 2022-12-11T12:00:00-08:00
  DOI: 10.1002/adts.202200576
  Issue No: Vol. 5, No. 12 (2022)
Surface Bending Resistance in Architected Nanoporous Metallic Materials
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  Authors: Yongchao Zhang; Jun Cai, Changwen Mi, Abdolhamid Akbarzadeh
  Abstract: Advanced Theory and Simulations, Volume 5, Issue 12, December 2022.
  PubDate: 2022-12-11T12:00:00-08:00
  DOI: 10.1002/adts.202200339
  Issue No: Vol. 5, No. 12 (2022)
A Group Recommendation Algorithm Based on Dividing Subgroup
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  Authors: Junjie Jia; Si Chen, Tianyue Shang
  Abstract: Advanced Theory and Simulations, Volume 5, Issue 12, December 2022.
  PubDate: 2022-12-11T12:00:00-08:00
  DOI: 10.1002/adts.202200557
  Issue No: Vol. 5, No. 12 (2022)
Computation of the Binding Energies between Human ACE2 and Spike RBDs of
the Original Strain, Delta and Omicron Variants of the SARS‐CoV‐2: A
DFT Simulation Approach
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  Authors: Serhan Yamacli; Mutlu Avci
  Abstract: Advanced Theory and Simulations, Volume 5, Issue 12, December 2022.
  PubDate: 2022-12-11T12:00:00-08:00
  DOI: 10.1002/adts.202200337
  Issue No: Vol. 5, No. 12 (2022)
Temperature‐Tunable Terahertz Perfect Absorber Based on All‐Dielectric
Strontium Titanate (STO) Resonator Structure
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  Authors: Jingcheng Zhao; Yongzhi Cheng
  Abstract: Advanced Theory and Simulations, Volume 5, Issue 12, December 2022.
  PubDate: 2022-12-11T12:00:00-08:00
  DOI: 10.1002/adts.202200520
  Issue No: Vol. 5, No. 12 (2022)
Molecular Dynamics Simulation for Thiolated Poly(ethylene glycol) at
Low‐Temperature Based on the Density Functional Tight‐Binding Method
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  Authors: Shi Li; Lei Chen, Xuefeng Gui, Daguang He, Jiwen Hu, Zhenzhu Huang, Shudong Lin, Yuanyuan Tu, Yonglu Dong
  Abstract: Advanced Theory and Simulations, Volume 5, Issue 12, December 2022.
  PubDate: 2022-12-11T12:00:00-08:00
  DOI: 10.1002/adts.202200281
  Issue No: Vol. 5, No. 12 (2022)
Dedicated Boundary Element Modeling for Nanoparticle‐on‐Mirror
Structures Incorporating Nonlocal Hydrodynamic Effects
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  Authors: Xuezhi Zheng
  Abstract: Advanced Theory and Simulations, Volume 5, Issue 12, December 2022.
  PubDate: 2022-12-11T12:00:00-08:00
  DOI: 10.1002/adts.202200480
  Issue No: Vol. 5, No. 12 (2022)
A Boundary Integral Equation Formalism for Modeling Multiple Scattering of
Light from 3D Nanoparticles Incorporating Nonlocal Effects
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  Authors: Xuezhi Zheng; Christos Mystilidis, Angelos Xomalis, Guy A. E. Vandenbosch
  Abstract: Advanced Theory and Simulations, Volume 5, Issue 12, December 2022.
  PubDate: 2022-12-11T12:00:00-08:00
  DOI: 10.1002/adts.202200485
  Issue No: Vol. 5, No. 12 (2022)
Electromechanical Modeling of Rolling Spherical Triboelectric
Nanogenerators Considering Nonlinear Effects
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  Authors: Qinkai Han; Ziyuan Jiang, Qingyang Shao, Shuai Gao, Fulei Chu
  Abstract: Advanced Theory and Simulations, Volume 5, Issue 12, December 2022.
  PubDate: 2022-12-11T12:00:00-08:00
  DOI: 10.1002/adts.202200373
  Issue No: Vol. 5, No. 12 (2022)
A First‐Principles Study on ABBr3 (A = Cs, Rb, K, Na; B = Ge, Sn) Halide
Perovskites for Photovoltaic Applications
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  Authors: Dibyajyoti Saikia; Mahfooz Alam, Jayanta Bera, Atanu Betal, Appala Naidu Gandi, Satyajit Sahu
  Abstract: Advanced Theory and Simulations, Volume 5, Issue 12, December 2022.
  PubDate: 2022-12-11T12:00:00-08:00
  DOI: 10.1002/adts.202200511
  Issue No: Vol. 5, No. 12 (2022)
Role of Anions in 5‐Hydroxymethylfurfural Solvation in Ionic Liquids
from Molecular Dynamics Simulations
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  Authors: Hadrián Montes‐Campos; Trinidad Méndez‐Morales, Luis Miguel Varela, Manuel Angel Ortuño
  Abstract: Advanced Theory and Simulations, Volume 5, Issue 12, December 2022.
  PubDate: 2022-12-11T12:00:00-08:00
  DOI: 10.1002/adts.202200522
  Issue No: Vol. 5, No. 12 (2022)
Plating of Ion‐Exchange Membranes: A Molecular Dynamics Study
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  Authors: Agnieszka Truszkowska; Alain Boldini, Maurizio Porfiri
  Abstract: Advanced Theory and Simulations, Volume 5, Issue 12, December 2022.
  PubDate: 2022-12-11T12:00:00-08:00
  DOI: 10.1002/adts.202200523
  Issue No: Vol. 5, No. 12 (2022)
First‐Principles Investigation of Phase Stability in Substoichiometric
Zirconium Carbide under High Pressure
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  Authors: Scott D. Thiel; James P. S. Walsh
  Abstract: Advanced Theory and Simulations, Volume 5, Issue 12, December 2022.
  PubDate: 2022-12-11T12:00:00-08:00
  DOI: 10.1002/adts.202200439
  Issue No: Vol. 5, No. 12 (2022)
Masthead (Adv. Theory Simul. 12/2022)
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  Abstract: Advanced Theory and Simulations, Volume 5, Issue 12, December 2022.
  PubDate: 2022-12-11T12:00:00-08:00
  DOI: 10.1002/adts.202270031
  Issue No: Vol. 5, No. 12 (2022)
First‐Principles Investigation of Phase Stability in Substoichiometric
Zirconium Carbide under High Pressure (Adv. Theory Simul. 12/2022)
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  Authors: Scott D. Thiel; James P. S. Walsh
  Abstract: Advanced Theory and Simulations, Volume 5, Issue 12, December 2022.
  PubDate: 2022-12-11T12:00:00-08:00
  DOI: 10.1002/adts.202270029
  Issue No: Vol. 5, No. 12 (2022)
Plating of Ion‐Exchange Membranes: A Molecular Dynamics Study (Adv.
Theory Simul. 12/2022)
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  Authors: Agnieszka Truszkowska; Alain Boldini, Maurizio Porfiri
  Abstract: Advanced Theory and Simulations, Volume 5, Issue 12, December 2022.
  PubDate: 2022-12-11T12:00:00-08:00
  DOI: 10.1002/adts.202270030
  Issue No: Vol. 5, No. 12 (2022)
A Hybrid SARIMA‐LSTM Model for Air Temperature Forecasting
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  Authors: Guoqiang Li; Ning Yang
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2022-12-22T05:26:57-08:00
  DOI: 10.1002/adts.202200502
Accurate Prediction of Microstructure of Composites using Machine Learning
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  Authors: Sheng Sang; Chen Xu, Jiadi Fan, Daniel Miao, Conner Side, Ziping Wang
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2022-12-22T05:24:50-08:00
  DOI: 10.1002/adts.202200674
Rational Design of De Novo CCL2 Binding Peptides
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  Authors: Erika Davidoff Aguas; Abdul‐Rahman Azizogli, Jatin Kashyap, Joseph Dodd‐o, Zain Siddiqui, Jay Sy, Vivek Kumar
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2022-12-18T07:20:07-08:00
  DOI: 10.1002/adts.202200810
Feature Space of XRD Patterns Constructed by an Autoencoder
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  Authors: Keishu Utimula; Masao Yano, Hiroyuki Kimoto, Kenta Hongo, Kousuke Nakano, Ryo Maezono
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2022-12-18T07:20:01-08:00
  DOI: 10.1002/adts.202200613
Switching the Luminescence between TADF and RTP for Organic D‐A‐D
Emitters: The Role of D‐A Connection Modes
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  Authors: Usman Ali; Guangchao Han, Yuanping Yi
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2022-12-18T07:19:58-08:00
  DOI: 10.1002/adts.202200725
Binder Jetting Additive Manufacturing: Spreading and Permeation of
Multiple Micron Droplets in Porous Media
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  Authors: Ankai Hu; Yanlu Huang, Zhiyi Chen, Yongqiang Yang, Yuxin Xu, Tianyu Wang
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2022-12-15T03:47:09-08:00
  DOI: 10.1002/adts.202200747
On the Design of Multibeam Digital Metasurfaces With Multiple Feeds
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  Authors: Behrad Rezaee Rezvan; Mohammad Yazdi, Seyed Ehsan Hosseininejad
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2022-12-15T03:46:46-08:00
  DOI: 10.1002/adts.202200676
Deposition Characteristics of Aerosol Particles on the Surface of PV
Modules: Numerical Study
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  Authors: Yunfeng Qiu; Xiao Guo, Yahui Wang, Rui Tian, Chuan Wei, Shuang Liu
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2022-12-15T03:46:19-08:00
  DOI: 10.1002/adts.202200750
A Security Games Inspired Approach for Distributed Control Of Pandemic
Spread
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  Authors: Ariel Alexi; Ariel Rosenfeld, Teddy Lazebnik
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2022-12-15T03:44:58-08:00
  DOI: 10.1002/adts.202200631
A Theoretical Model for Phagocytic Capacity of Phagocytes
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  Authors: Jingjiao Guan
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2022-12-15T03:44:15-08:00
  DOI: 10.1002/adts.202200710
Research on Composite Braking Mode Switching Strategy Based on Fuzzy
Algorithm
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  Authors: Zhu'An Zheng; Cang Liang, Hongming Lv, Kun Zhang, Weiyang Zhang
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2022-12-14T04:00:25-08:00
  DOI: 10.1002/adts.202200789
Unraveling the Mechanism of Structural Stability and Electrochemical
Performance of N/F‐Modified Li2FeSiO4: A First‐Principles Study
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  Authors: Xialei Guo; Yuhua Hou, Shouhong Zheng, Xuan Chen, Wei Li, Xiaoma Tao, Youlin Huang
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2022-12-11T06:39:11-08:00
  DOI: 10.1002/adts.202200610
In Quest of Low‐Leakage Dynamic Random Access Memory Enabled by
Doped TiO2 Dielectrics
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  Authors: Fan Ye; Kan‐Hao Xue, Heng Yu, Shengxin Yang, Jun‐Hui Yuan, Rongchuan Gu, Ming Xu, Xiangshui Miao
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2022-12-04T07:40:30-08:00
  DOI: 10.1002/adts.202200614
Structural and Electronic Properties of Metal/Oxide Nanostructures from
First‐Principles: Ru13 Supported on (TiO2)84 as a Case Study
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  Authors: Miquel Allès; Elena R. Remesal, Francesc Illas, Ángel Morales‐García
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2022-12-04T07:40:07-08:00
  DOI: 10.1002/adts.202200670
Numerical Analysis and Optimization of a Hybrid Layer Structure for
Triplet–Triplet Fusion Mechanism in Organic Light‐Emitting Diodes
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  Authors: Jun‐Yu Huang; Hsiao‐Chun Hung, Kung‐Chi Hsu, Chia‐Hsun Chen, Pei‐Hsi Lee, Hung‐Yi Lin, Bo‐Yen Lin, Man‐kit Leung, Tien‐Lung Chiu, Jiun‐Haw Lee, Richard H. Friend, Yuh‐Renn Wu
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2022-12-04T07:03:53-08:00
  DOI: 10.1002/adts.202200633
Enhanced Photon Harvesting in Wedge Tandem Solar Cell
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  Authors: Sandeep Kumar Chamoli; Subhash Singh, Chunlei Guo, Wei Li
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2022-11-27T06:04:23-08:00
  DOI: 10.1002/adts.202200632
Multiscale Computational Approaches toward the Understanding of Materials
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  Authors: Marta Bordonhos; Tiago L. P. Galvão, José R. B. Gomes, José D. Gouveia, Miguel Jorge, Mirtha A. O. Lourenço, José M. Pereira, Germán Pérez‐Sánchez, Moisés L. Pinto, Carlos M. Silva, João Tedim, Bruno Zêzere
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2022-11-27T06:04:13-08:00
  DOI: 10.1002/adts.202200628
Investigation for Carbonation Mechanism of Tobermorite 9 Å: A Combination
of DFT and Ab Initio Molecular Dynamics Study
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  Authors: Xiaotong Liu; Xiaolin Bai, Wei Zhong, Xiangsheng Deng, Tianshui Liang
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2022-11-26T04:34:24-08:00
  DOI: 10.1002/adts.202200729
Novel Low‐Latency T‐Latch with Minimum Number of Cells in QCA
Technology
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  Authors: Mohammad Gholami; Zaman Amirzadeh
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2022-11-20T08:50:26-08:00
  DOI: 10.1002/adts.202200686
Co‐Substituted BiFeO3: Electronic, Ferroelectric, and Thermodynamic
Properties from First Principles
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  Authors: Shivani Grover; Keith T. Butler, Umesh V. Waghmare, Ricardo Grau‐Crespo
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2022-11-18T01:44:30-08:00
  DOI: 10.1002/adts.202200673
Variance‐Based Global Sensitivity Analysis: A Methodological Framework
and Case Study for Microkinetic Modeling
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  Authors: Bart F. H. Boorn; Matthijs Berkel, Anja Bieberle‐Hütter
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2022-11-18T01:41:00-08:00
  DOI: 10.1002/adts.202200615
Fractional‐Order Localized Spoof Surface Plasmons for In‐Phase or
Out‐of‐Phase Power Division
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  Authors: Si‐Qi Li; Fan‐Hong Li, Yu Zhu, Chao‐Hai Du
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2022-11-18T01:40:35-08:00
  DOI: 10.1002/adts.202200645
Toward an Improved Understanding for Design of Material Extrusion Additive
Manufacturing Process‐Based 3D Printers—a Computational Study
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  Authors: Ishant Singhal; Bobby Tyagi, Riya Chaudhary, Ankit Sahai, Haniyeh Fayazfar, Rahul Swarup Sharma
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2022-11-18T01:34:22-08:00
  DOI: 10.1002/adts.202200704
Metasurface Based Spin‐Selective Wollaston‐and‐Rochon‐Prism‐Like
Circularly Polarized Beam Splitter
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  Authors: Ata Ur Rahman Khalid; Naeem Ullah, Yu Han, Xiaocong Yuan, Fu Feng, Michael Geoffrey Somekh
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2022-11-17T01:41:02-08:00
  DOI: 10.1002/adts.202200574
Oxygen‐Chlorine Chemisorption Scaling for Seawater Electrolysis on
Transition Metals: The Role of Redox
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  Authors: Robert B. Wexler; Emily A. Carter
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2022-11-14T12:00:00-08:00
  DOI: 10.1002/adts.202200592
Sphere Last‐Passage Algorithm for Charge Density on a Smooth
(Convex) Conducting Surface
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  Authors: Jinseong Son; Junhyeok Im, Chi‐Ok Hwang
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2022-11-11T12:21:06-08:00
  DOI: 10.1002/adts.202200608
Exploring a COVID‐19 Endemic Scenario: High‐Resolution Agent‐Based
Modeling of Multiple Variants
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  Authors: Agnieszka Truszkowska; Lorenzo Zino, Sachit Butail, Emanuele Caroppo, Zhong‐Ping Jiang, Alessandro Rizzo, Maurizio Porfiri
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2022-11-11T12:20:38-08:00
  DOI: 10.1002/adts.202200481
An Analytical Model for Sb2Se3 Thin‐Film Solar Cells by Considering
Current‐Voltage Distortion
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  Authors: Iman Gharibshahian; Ali Asghar Orouji, Samaneh Sharbati
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2022-11-11T12:20:34-08:00
  DOI: 10.1002/adts.202200438
Theoretical Prediction of Spinel Na2InxSc0.666−xCl4 and Rock‐Salt
Na3In1−xScxCl6 Superionic Conductors for All‐Solid‐State
Sodium‐Ion Batteries
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  Authors: Fiaz Hussain; Pengcheng Yu, Jinlong Zhu, Hui Xia, Yusheng Zhao, Wei Xia
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2022-11-11T12:20:27-08:00
  DOI: 10.1002/adts.202200569
Adsorption Mechanism and Optical Behaviors of Typical Volatile Organic
Compounds on Pristine and Cu/Ni‐Modified C3N Monolayer: A
First‐Principles Study
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  Authors: Kexin Ma; Yanwen Wang, Yunxin Zheng, Jianrong Xiao, Liang Xu, Xueqiong Dai, Zhiyong Wang
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2022-11-11T12:09:41-08:00
  DOI: 10.1002/adts.202200611
Analytical Physical Model for Organic
Metal‐Electrolyte‐Semiconductor Capacitors
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  Authors: Larissa Huetter; Adrica Kyndiah, Gabriel Gomila
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2022-11-11T12:00:00-08:00
  DOI: 10.1002/adts.202200698
Revisiting the Dielectric Breakdown in a Polycrystalline Ferroelectric: A
Phase‐Field Simulation Study
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  Authors: Mohammad Khondabi; Hossein Ahmadvand, Mahdi Javanbakht
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2022-11-03T12:00:00-07:00
  DOI: 10.1002/adts.202200314
Impact of Small Scale Storage and Intelligent Scheduling Strategy on Cost
Effective and Voltage Secure Operation of Wind+PV+Thermal Hybrid System
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  Authors: Alpesh Kumar Dauda; Ambarish Panda
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2022-11-03T07:30:03-07:00
  DOI: 10.1002/adts.202200427
Symbolic Regression and Two‐Point Statistics Assisted
Structure‐Property Linkage Based on Irregular‐Representative Volume
Element
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  Authors: Yiming Chen; Xiaobing Hu, Jiajun Zhao, Zhijun Wang, Junjie Li, Jincheng Wang
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2022-10-21T07:44:51-07:00
  DOI: 10.1002/adts.202200524
Understanding the Structural Elasticity of RNA and DNA: All‐Atom
Molecular Dynamics
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  Authors: Yingtong Zhang; Miao Yan, Tingting Huang, Xianghong Wang
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2022-09-08T12:19:28-07:00
  DOI: 10.1002/adts.202200534
Modeling Hydrogen and Oxygen Evolution Reactions on Single Atom Catalysts
with Density Functional Theory: Role of the Functional
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  Authors: Ilaria Barlocco; Luis A. Cipriano, Giovanni Di Liberto, Gianfranco Pacchioni
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2022-09-04T11:48:35-07:00
  DOI: 10.1002/adts.202200513
Computational Pourbaix Diagrams for MXenes: A Key Ingredient toward Proper
Theoretical Electrocatalytic Studies
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  Authors: Martí López; Kai S. Exner, Francesc Viñes, Francesc Illas
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2022-07-01T12:00:00-07:00
  DOI: 10.1002/adts.202200217