Results 161 to 170 of about 1,321 (258)

Unveiling the Role of Curvature in Carbon for Improved Energy Release of Ammonium Perchlorate

Advanced Materials, EarlyView.
High‐curvature carbon materials identified via machine learning and simulation can enhance the heat release and combustion performance of ammonium perchlorate. ABSTRACT The catalytic role of carbon curvature in the thermal decomposition of ammonium perchlorate (AP) remains largely unexplored. To address this gap, this study employs machine learning and
Dan Liu, Keliang Song, Haorui Zhang, Zhipeng Liu, Guansong He, Junru Wang, Wenming Yang, Xu Zhao, Zhijian Yang   +8 more
wiley   +1 more source

The CP2K Program Package Made Simple. [PDF]

J Phys Chem B
Iannuzzi M, Wilhelm J, Stein F, Bussy A, Elgabarty H, Golze D, Hehn AS, Graml M, Marek S, Gökmen BS, Schran C, Forbert H, Khaliullin RZ, Kozhevnikov A, Taillefumier M, Meli R, Rybkin VV, Brehm M, Schade R, Schütt O, Pototschnig JV, Mirhosseini H, Knüpfer A, Marx D, Krack M, Hutter J, Kühne TD.   +26 more
europepmc   +1 more source

Rapid Fabrication of Self‐Propelled and Steerable Magnetic Microcatheters for Precision Medicine

Advanced Materials, EarlyView.
A rapid Joule heating fabrication method for the production of self‐propelling, adaptive microcatheters, with tunable stiffness and integrated microfluidic channels is presented. Demonstrated through three microrobotic designs, including a steerable guiding catheter, an untethered wave‐crawling TubeBot, and a distal‐end propelled microcatheter, it was ...
Zhi Chen, Boris Rivkin, David Castellanos‐Robles, Ivan Soldatov, Lukas Beyer, Mariana Medina‐Sánchez   +5 more
wiley   +1 more source

QCMaquis 4.0: Multipurpose Electronic, Vibrational, and Vibronic Structure and Dynamics Calculations with the Density Matrix Renormalization Group. [PDF]

J Phys Chem A
Szenes K, Glaser N, Erakovic M, Barandun V, Mörchen M, Feldmann R, Battaglia S, Baiardi A, Reiher M.   +8 more
europepmc   +1 more source

Artificial Intelligence‐Assisted Workflow for Transmission Electron Microscopy: From Data Analysis Automation to Materials Knowledge Unveiling

Advanced Materials, EarlyView.
AI‐Assisted Workflow for (Scanning) Transmission Electron Microscopy: From Data Analysis Automation to Materials Knowledge Unveiling. Abstract (Scanning) transmission electron microscopy ((S)TEM) has significantly advanced materials science but faces challenges in correlating precise atomic structure information with the functional properties of ...
Marc Botifoll, Ivan Pinto‐Huguet, Enzo Rotunno, Thomas Galvani, Catalina Coll, Payam Habibzadeh Kavkani, Maria Chiara Spadaro, Yann‐Michel Niquet, Martin Børstad Eriksen, Sara Martí‐Sánchez, Georgios Katsaros, Giordano Scappucci, Peter Krogstrup, Giovanni Isella, Andreu Cabot, Gonzalo Merino, Pablo Ordejón, Stephan Roche, Vincenzo Grillo, Jordi Arbiol   +19 more
wiley   +1 more source

Reducing the Runtime of Fault-Tolerant Quantum Simulations in Chemistry through Symmetry-Compressed Double Factorization. [PDF]

J Chem Theory Comput
Rocca D, Cortes CL, Gonthier JF, Ollitrault PJ, Parrish RM, Anselmetti GL, Degroote M, Moll N, Santagati R, Streif M.   +9 more
europepmc   +1 more source

Tensor Completion with BMD Factor Nuclear Norm Minimization

Comment: 10 ...
Tian, Fan, Pasha, Mirjeta, Kilmer, Misha E., Miller, Eric, Patra, Abani   +4 more
openaire   +1 more source

Sculpting the Future of Bone: The Evolution of Absorbable Materials in Orthopedics

Advanced Materials, EarlyView.
This review summarizes the current status of polymeric, ceramic, and metallic absorbable materials in orthopedic applications, and highlights several innovative strategies designed to enhance mechanical performance, control degradation, and promote bioactivity. We also discuss the progress and translational potential of absorbable materials in treating
Zhao Wang, Zehui Lv, Xuejie Cai, Yingjie Wang, Bo Peng, Haojing Xu, Hualuo Pang, Xingdong Yang, Jiawei Xu, Yixin Bian, Bin Feng, Peng Wen, Yufeng Zheng, Xisheng Weng   +13 more
wiley   +1 more source

Near Linearity of the Macroscopic Hall Current Response in Infinitely Extended Gapped Fermion Systems. [PDF]

Commun Math Phys
Wesle M, Marcelli G, Miyao T, Monaco D, Teufel S.   +4 more
europepmc   +1 more source

Review of Thin Lithium Metal Battery Anode Fabrication – Microstructure – Electrochemistry Relations

Advanced Materials, EarlyView.
Thin, lightweight lithium‐metal anodes are pivotal for practical high‐energy batteries. This review surveys processing routes that convert diverse Li precursors, e.g., ingots, melts, solutions, and vapor, into Li‐rich foils with controlled thickness, areal density, and tailored functionality.
Yuhang Hu, Zidong Chen, Yixian Wang, Haorui Hou, Bingcheng Chen, David Mitlin, Wei Liu   +6 more
wiley   +1 more source