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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

[1764 journals]

FBP‐CNN: A Direct PET Image Reconstruction Network for Flow
Visualization
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  Authors: Ruiqi Fang; Ruipeng Guo, Min Zhao, Min Yao
  Abstract: Advanced Theory and Simulations, Volume 6, Issue 6, June 2023.
  PubDate: 2023-06-13T11:56:07-07:00
  DOI: 10.1002/adts.202200604
  Issue No: Vol. 6, No. 6 (2023)
Regulating Polaron Transport Regime via Heterojunction Engineering in
Cove‐Type Graphene Nanoribbons
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  Authors: Tiago de Sousa Araújo Cassiano; Luiz Antônio Ribeiro Júnior, Geraldo Magela e Silva, Pedro Henrique de Oliveira Neto
  Abstract: Advanced Theory and Simulations, Volume 6, Issue 6, June 2023.
  PubDate: 2023-06-13T11:56:07-07:00
  DOI: 10.1002/adts.202200877
  Issue No: Vol. 6, No. 6 (2023)
ω‐Graphene: A Graphene Allotrope with Desirable Auxeticity and
Dirac Cone
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  Authors: Yan Gao; Yan Liu, Da Li
  Abstract: Advanced Theory and Simulations, Volume 6, Issue 6, June 2023.
  PubDate: 2023-06-13T11:56:07-07:00
  DOI: 10.1002/adts.202300059
  Issue No: Vol. 6, No. 6 (2023)
Application of n‐Polysilicon Rear Emitter for High‐Efficiency
p‐TOPCon Solar Cells
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  Authors: Muhammad Quddamah Khokhar; Hasnain Yousuf, Xinyi Fan, Seungyong Han, Youngkuk Kim, Suresh Kumar Dhungel, Junsin Yi
  Abstract: Advanced Theory and Simulations, Volume 6, Issue 6, June 2023.
  PubDate: 2023-06-13T11:56:07-07:00
  DOI: 10.1002/adts.202300078
  Issue No: Vol. 6, No. 6 (2023)
Bending Effect on the Electronic Properties and Nonlinear Optical
Responses of Linear Porphyrin Oligomer
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  Authors: Yangyang Hu; Lu Han, Danting Li, Hong Yu, Guiling Zhang, Weiqi Li, Wei Quan Tian
  Abstract: Advanced Theory and Simulations, Volume 6, Issue 6, June 2023.
  PubDate: 2023-06-13T11:56:07-07:00
  DOI: 10.1002/adts.202300082
  Issue No: Vol. 6, No. 6 (2023)
Guided Wave Tomography of Surface Defects Based on the Method of Moments
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  Authors: Zhi Qian; Bin Wang, Yinghong Zhang, Songhao Wang, Peng Li, Zhenghua Qian, Iren Kuznetsova
  Abstract: Advanced Theory and Simulations, Volume 6, Issue 6, June 2023.
  PubDate: 2023-06-13T11:56:07-07:00
  DOI: 10.1002/adts.202300121
  Issue No: Vol. 6, No. 6 (2023)
Ultrathin and Ultra‐Broadband Terahertz Single‐Layer Metasurface Based
on Double‐Arrow‐Shaped Resonator Structure for Full‐Space Wavefront
Manipulation
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  Authors: Dongru Yang; Yongzhi Cheng, Hui Luo, Fu Chen, Ling Wu
  Abstract: Advanced Theory and Simulations, Volume 6, Issue 6, June 2023.
  PubDate: 2023-06-13T11:56:07-07:00
  DOI: 10.1002/adts.202300162
  Issue No: Vol. 6, No. 6 (2023)
Simulation of NOx and COx Gas Sensor based on Pristine Armchair Stanene
Nanoribbon
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  Authors: Mahboobeh Amiri Fadardi; Tayebeh Movlarooy
  Abstract: Advanced Theory and Simulations, Volume 6, Issue 6, June 2023.
  PubDate: 2023-06-13T11:56:07-07:00
  DOI: 10.1002/adts.202200875
  Issue No: Vol. 6, No. 6 (2023)
Application of Newly Designed Y‐Series Nonfullerene Acceptors for
High‐Efficient Organic Solar Cells
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  Authors: Sheik Haseena; Mahesh Kumar Ravva
  Abstract: Advanced Theory and Simulations, Volume 6, Issue 6, June 2023.
  PubDate: 2023-06-13T11:56:07-07:00
  DOI: 10.1002/adts.202200898
  Issue No: Vol. 6, No. 6 (2023)
Machine Learning‐Assisted Discovery of 2D Perovskites with Tailored
Bandgap for Solar Cells
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  Authors: Yushu Shen; Junya Wang, Xiaobo Ji, Wencong Lu
  Abstract: Advanced Theory and Simulations, Volume 6, Issue 6, June 2023.
  PubDate: 2023-06-13T11:56:07-07:00
  DOI: 10.1002/adts.202200922
  Issue No: Vol. 6, No. 6 (2023)
Artificial Intelligence Guided Studies of van der Waals Magnets
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  Authors: Trevor David Rhone; Romakanta Bhattarai, Haralambos Gavras, Bethany Lusch, Misha Salim, Marios Mattheakis, Daniel T. Larson, Yoshiharu Krockenberger, Efthimios Kaxiras
  Abstract: Advanced Theory and Simulations, Volume 6, Issue 6, June 2023.
  PubDate: 2023-06-13T11:56:07-07:00
  DOI: 10.1002/adts.202300019
  Issue No: Vol. 6, No. 6 (2023)
Unconstrained Machine Learning Screening for New Li‐Ion Cathode
Materials Enhanced by Class Balancing
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  Authors: Filip Dinic; Oleksandr Voznyy
  Abstract: Advanced Theory and Simulations, Volume 6, Issue 6, June 2023.
  PubDate: 2023-06-13T11:56:07-07:00
  DOI: 10.1002/adts.202300081
  Issue No: Vol. 6, No. 6 (2023)
Fermi Surface Topology and Rashba‐Edelstein Charge‐Spin Conversion in
Lead‐Halide Perovskites
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  Authors: Alessio Filippetti; Payal Wadhwa, Claudia Caddeo, Alessandro Mattoni
  Abstract: Advanced Theory and Simulations, Volume 6, Issue 6, June 2023.
  PubDate: 2023-06-13T11:56:07-07:00
  DOI: 10.1002/adts.202300092
  Issue No: Vol. 6, No. 6 (2023)
Machine Learning‐Assisted Clustering of Nanoparticle‐Binding Peptides
and Prediction of Their Properties
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  Authors: Kenry
  Abstract: Advanced Theory and Simulations, Volume 6, Issue 6, June 2023.
  PubDate: 2023-06-13T11:56:07-07:00
  DOI: 10.1002/adts.202300122
  Issue No: Vol. 6, No. 6 (2023)
MC‐KV: A Prognosis‐Oriented Classifier Based on Semi‐Supervised
Learning for Molecular Subtyping of Colorectal Cancer
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  Authors: Liyi Bai; Fanqin Bu, Xiangji Li, Xiaohan Yang, Shuilong Guo, Li Min, Shutian Zhang
  Abstract: Advanced Theory and Simulations, Volume 6, Issue 6, June 2023.
  PubDate: 2023-06-13T11:56:07-07:00
  DOI: 10.1002/adts.202300156
  Issue No: Vol. 6, No. 6 (2023)
Masthead (Adv. Theory Simul. 6/2023)
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  Abstract: Advanced Theory and Simulations, Volume 6, Issue 6, June 2023.
  PubDate: 2023-06-13T11:56:07-07:00
  DOI: 10.1002/adts.202370015
  Issue No: Vol. 6, No. 6 (2023)
Energy Level Diagram of 3d2 Configuration in Tetrahedral Crystal Field and
Its Applications to Cr4 + /Mn5 + ‐Doped Luminescent Materials
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  Abstract: Advanced Theory and Simulations, Volume 6, Issue 6, June 2023.
  PubDate: 2023-06-13T11:56:07-07:00
  DOI: 10.1002/adts.202300263
  Issue No: Vol. 6, No. 6 (2023)
Artificial Intelligence Guided Studies of van der Waals Magnets (Adv.
Theory Simul. 6/2023)
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  Authors: Trevor David Rhone; Romakanta Bhattarai, Haralambos Gavras, Bethany Lusch, Misha Salim, Marios Mattheakis, Daniel T. Larson, Yoshiharu Krockenberger, Efthimios Kaxiras
  Abstract: Advanced Theory and Simulations, Volume 6, Issue 6, June 2023.
  PubDate: 2023-06-13T11:56:07-07:00
  DOI: 10.1002/adts.202370014
  Issue No: Vol. 6, No. 6 (2023)
Correlating the Nonlinear Roughening and Optical Properties of Anatase
Thin Films—A Fractal Geometric Approach
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  Authors: Abhijeet Das; Jyoti Jaiswal, Chandra Kamal Borah, Itum Ruti, Robert S. Matos, Erveton P. Pinto, R. P. Yadav, Ştefan Ţălu, Sanjeev Kumar
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2023-06-17T12:23:51-07:00
  DOI: 10.1002/adts.202300238
Machine Learning for Semiconductor Process Simulation Described by Coupled
Partial Differential Equations
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  Authors: Rikuya Sato; Kentaro Kutsukake, Shunta Harada, Miho Tagawa, Toru Ujihara
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2023-06-15T06:45:14-07:00
  DOI: 10.1002/adts.202300218
In Silico Experiments to Explore the Heating Efficiency of Magnetic
Nanoparticles in Hyperthermia Preclinical Tests
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  Authors: Marta Vicentini; , Riccardo Ferrero, Alessandra Manzin
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2023-06-11T10:32:13-07:00
  DOI: 10.1002/adts.202300234
Mechanical Perspective of CsSe Half‐Metallic Ferromagnet from DFT
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  Authors: Nishant T. Tayade; Manish P. Tirpude
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2023-06-09T12:16:24-07:00
  DOI: 10.1002/adts.202300098
Percolation Threshold of Clustered, Oriented and Polydisperse Sticks in a
Plane
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  Authors: Mark A. Bissett; Yubao Deng, Ian A. Kinloch, William W. Sampson
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2023-06-09T08:37:43-07:00
  DOI: 10.1002/adts.202300131
2D MnC4: A Room‐Temperature Antiferromagnetic System
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  Authors: Hector Noe Fernandez‐Escamilla; Jose Israel Paez‐Ornelas, Do Minh Hoat, Rafael Gonzalez‐Hernandez, Noboru Takeuchi, Jonathan Guerrero‐Sanchez, Eduardo Gerardo Perez‐Tijerina
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2023-06-09T08:36:01-07:00
  DOI: 10.1002/adts.202300193
A Numeric Approach for Investigating Electron Dynamics in Zinc‐Blende
Semiconductor Heterostructures
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  Authors: Yair Reichman; Maytal Caspary Toroker
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2023-06-08T11:54:40-07:00
  DOI: 10.1002/adts.202300155
Convoluted Magnetoresistance and Magnetic Reversal Processes in Ni–Fe
Segmented Cylindrical Nanodots with Tunable Size and Composition for
Technological Applications
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  Authors: Ever A. Velásquez; Johann Mazo‐Zuluaga, José Mejía‐López
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2023-06-07T10:42:22-07:00
  DOI: 10.1002/adts.202300051
Ventilation and Pollutant Dispersion Analysis in the Uneven Building
Arrays along with the Green Roof System
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  Authors: Xiangyu Luo; Weichen Zhang, Zhenqi Qin, Jin Huang, Pengfei Wang, Wensheng Zhao
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2023-06-07T10:26:07-07:00
  DOI: 10.1002/adts.202300259
Improving the Recombination Losses by the Inclusion of Bi‐HTM
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  Authors: M. Jamil; Rasmiah S. Almufarij, Adnan Ali, Arslan Ashfaq, Khalid Mahmood, Mohamed Abdelsabour Fahmy, Michael M. Sabugaa, Rania Saleh Alqurashi, Elsammani Ali Shokralla, Obaidallah A. Algethami
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2023-05-28T08:34:07-07:00
  DOI: 10.1002/adts.202300106
Design of a D–Di–π–A Architecture with Different Auxiliary Donors
for Dye‐Sensitized Solar Cells: Density Functional
Theory/Time‐Dependent‐Density Functional Theory Study of the Effect of
Secondary Donors
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  Authors: Ahmed Azaid; Rchid Kacimi, Marwa Alaqarbeh, Marzouk Raftani, Tayeb Abram, Abdelouahid Sbai, Tahar Lakhlifi, Mohammed Bouachrine
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2023-05-25T09:15:26-07:00
  DOI: 10.1002/adts.202300054
Chaotic Time Series Prediction of Multi‐Dimensional Nonlinear System
Based on Bidirectional LSTM Model
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  Authors: Luyao Wang; Liming Dai
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2023-05-24T09:40:37-07:00
  DOI: 10.1002/adts.202300148
Capacity Consistency Prediction and Process Parameter Optimization of
Lithium‐Ion Battery based on Neural Network and Particle Swarm
Optimization Algorithm
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  Authors: Youjun Han; , Hongyuan Yuan, Ying Shao, Jin Li, Xuejie Huang
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2023-05-23T07:34:18-07:00
  DOI: 10.1002/adts.202300125
An Intelligent, User‐Inclusive Pipeline for Organic Semiconductor
Design
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  Authors: Daniel M. Packwood; Yu Kaneko, Daiji Ikeda, Mitsuru Ohno
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2023-05-23T01:50:16-07:00
  DOI: 10.1002/adts.202300159
Photoelectric Performance of Several Dithienoheterocycles Dyes and
Nanocomposite of Dyes/Graphene Quantum Dots for DSSCs
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  Authors: Dehao Sun; Canpu Yang, Tao Liu, Yuanzuo Li
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2023-05-21T09:41:01-07:00
  DOI: 10.1002/adts.202200940
CsPbI3 Based All‐Inorganic Perovskite Solar Cells: Further Performance
Enhancement of the Electron Transport Layer‐Free Structure from Device
Simulation
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  Authors: Zhiwei Qin; Hao Zhou, Site Li, Junxin Xiang, Ziyu Guan, Hai Zhang, Xinxia Ma, Meilin Zhang, Jiang Wu, Haoyan Yang
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2023-05-16T04:25:21-07:00
  DOI: 10.1002/adts.202200805
Dynamical Numerical Model of the Molluscan Radula in its Interaction with
the Substrate and Food Particles
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  Authors: Alexander E. Filippov; Stanislav N. Gorb, Alexander E. Kovalev, Wencke Krings
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2023-05-16T04:25:10-07:00
  DOI: 10.1002/adts.202300055
Dynamical Stability and Physical Properties of Fe Dihalide Nanowires
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  Authors: José Mejía‐López; Sinhué López‐Moreno, Johann Mazo‐Zuluaga, Pricila Betbirai Romero‐Vázquez, José Luis Morán‐López
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2023-05-12T12:35:16-07:00
  DOI: 10.1002/adts.202300085
XO2 (X = Pd, Pt) Monolayers: A Promising Thermoelectric Materials
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  Authors: Aadil Fayaz Wani; Lokanath Patra, Marutheeswaran Srinivasan, Jaspal Singh, Shaimaa A. M. Abdelmohsen, Meznah M. Alanazi, Shobhna Dhiman, Kulwinder Kaur
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2023-05-12T12:34:48-07:00
  DOI: 10.1002/adts.202300158
Modeling SARS‐CoV‐2 True Infections in Catalonia through a
Digital Twin
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  Authors: Pau Fonseca i Casas; Joan Garcia i Subirana, Victor Garcia i Carrasco
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2023-05-12T12:30:52-07:00
  DOI: 10.1002/adts.202200917
Closed‐Loop Control of Front Speed During Frontal Polymerization of
Dicyclopentadiene—A Numerical Study
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  Authors: Grayson Schaer; Timothy Bretl
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2023-05-10T05:55:53-07:00
  DOI: 10.1002/adts.202300015
A One‐Stage Deep Learning Model for Industrial Defect Detection
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  Authors: Zhaoguo Li; Xiumei Wei, M. Hassaballah, Xuesong Jiang
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2023-05-07T08:40:18-07:00
  DOI: 10.1002/adts.202200853
Machine Learning‐Enabled Virtual Screening with Multiple Protein
Structures toward the Discovery of Novel JAK3 Inhibitors: Integration of
Molecular Docking, Pharmacophore, and Naïve Bayesian Classification
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  Authors: Jingyu Zhu; Jingyu Sun, Lei Jia, Lei Xu, Yanfei Cai, Yun Chen, Jian Jin
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2023-05-07T08:40:17-07:00
  DOI: 10.1002/adts.202200835
Analysis of Si Back‐Contact for Chalcogenide Perovskite Solar Cells
Based on BaZrS3 Using SCAPS‐1D
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  Authors: Biswajit Barman; Sarang Ingole
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2023-05-05T02:33:54-07:00
  DOI: 10.1002/adts.202200820
2D Semiconducting Polymers Based on Aromatic 1,5‐Diheterocines with
Oxygen and Nitrogen
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  Authors: Ruslan Kevorkyants
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2023-05-05T02:32:15-07:00
  DOI: 10.1002/adts.202200758
Calculation Model of Contact Load and Axial Stiffness of Planetary Thread
Roller Bearing Based on Direct Stiffness Method
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  Authors: Zhijie Xie; Yu Wang, Hao Zhan, Wenjian Xie, Jixian Deng, Di Yu, Jihui Yin
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2023-05-05T02:32:02-07:00
  DOI: 10.1002/adts.202300126
Kinetic Properties of Oxygen Evolution Reaction Catalysis in Hematite
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  Authors: Nadav Snir; Maytal Caspary Toroker
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2023-05-05T02:32:02-07:00
  DOI: 10.1002/adts.202300182
Cocrystal Growth in Organic Semiconductor Thin Films: Simulation of
Pentacene, Perfluoropentacene, and Their 1:1 Blend Deposited On Graphite
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  Authors: Emilio Lorini; Lorenzo Soprani, Luca Muccioli
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2023-04-28T08:55:21-07:00
  DOI: 10.1002/adts.202300080
Particle and Heavy Ion Transport Code System‐Based Microdosimetry for
the Development of Boron Agents for Boron Neutron Capture Therapy
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  Authors: Takafumi Shigehira; Tadashi Hanafusa, Kazuyo Igawa, Tomonari Kasai, Shuichi Furuya, Hisakazu Nishimori, Yoshinobu Maeda, Hiroyuki Michiue, Atsushi Fujimura
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2023-04-28T08:55:15-07:00
  DOI: 10.1002/adts.202300163
TRACE‐Omicron: Policy Counterfactuals to Inform Mitigation of COVID‐19
Spread in the United States
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  Authors: David O'Gara; Samuel F. Rosenblatt, Laurent Hébert‐Dufresne, Rob Purcell, Matt Kasman, Ross A. Hammond
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2023-04-28T08:55:08-07:00
  DOI: 10.1002/adts.202300147
Tuning of the Electronic and Optical Properties of Monolayer GaSe Via
Strain
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  Authors: Vo Khuong Dien; Nguyen Thi Han, Wei Bang‐Li, Kuang‐I Lin, Ming‐Fa Lin
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2023-04-28T05:00:24-07:00
  DOI: 10.1002/adts.202200950
Evacuation Simulation of a Passenger Ship Fire Based on a Modified
Cellular Automaton
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  Authors: Linfan Liu; Huajun Zhang, Jun Shi, Jianning Geng
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2023-04-28T05:00:09-07:00
  DOI: 10.1002/adts.202300141
Effects of Opposite Atoms on Electronic Structure and Optical Absorption
of Two‐Dimensional Hexagonal Boron Nitride
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  Authors: You‐Zhao Lan
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2023-04-23T07:45:09-07:00
  DOI: 10.1002/adts.202300061
State of Charge Estimation for Lithium‐Ion Batteries Based on an
Adaptive Fractional‐Order Cubature Kalman Filter
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  Authors: Haoyu Chai; Zhe Gao, Yue Miao, Zhiyuan Jiao
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2023-04-23T07:43:54-07:00
  DOI: 10.1002/adts.202200933
First Principles Calculations of Hydrogen Evolution Reaction and Proton
Migration on Stepped Surfaces of SrTiO3
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  Authors: Maksim Sokolov; Yuri A. Mastrikov, Guntars Zvejnieks, Dmitry Bocharov, Veera Krasnenko, Kai S. Exner, Eugene A. Kotomin
  Abstract: Advanced Theory and Simulations, EarlyView.
  PubDate: 2023-01-11T06:13:46-08:00
  DOI: 10.1002/adts.202200619