Results 161 to 170 of about 7,871,511 (280)

Density-Functionalized QM/MM Delivers Chemical Accuracy For Solvated Systems. [PDF]

J Chem Theory Comput
Chen X, Martinez B JA, Shao X, Riera Riambau M, Andreussi O, Paesani F, Pavanello M.   +6 more
europepmc   +1 more source

Adaptive Foam 3D Printing of Ultralight and Multifunctional Materials

Advanced Engineering Materials, EarlyView.
Adaptive foam 3D printing, enabled by expandable microspheres, imparts cellular structures to thermoplastic and thermosetting polymers, manufactured through a variety of processes including fused filament fabrication, direct ink writing, digital light processing, and inkjet printing.
Nariman Rajabifar, Amir Ameli
wiley   +1 more source

Chemical Information Bulletin

, 1995
Periodic supplement for "the regular journals of the American Chemical Society," containing annotated bibliographies of chemical documentation literature as well as information about meetings, conferences, awards, scholarships, and other news from the ...
Rosso, Patricia C., American Chemical Society. Division of Chemical Information.   +1 more
core  

A Machine Learning Interatomic Potential Data Set and Model for Catalysis with Local Fine-Tuning to Chemical Accuracy. [PDF]

JACS Au
Wu Z, Zhou L, Hou P, Liu Y, Wang R, Guo T, Liu JC.   +6 more
europepmc   +1 more source

Entropy‐Driven Design of Low‐Melting‐Point Alloys via Compositionally Complex Strategy

Advanced Engineering Materials, EarlyView.
Conventional low‐melting‐point alloys (LMPAs) are limited by a narrow compositional space and inherent property trade‐offs. This review presents an entropy‐driven design strategy that overcomes these limitations, ushering in a new class of low‐melting‐point compositionally complex alloys (LMCCAs).
Yinghui Shang, Jianxiang Zhao, Zhaoqi Chen, Hao Gong, Yinsen Yan, Junlei Tao, Yong Yang   +6 more
wiley   +1 more source

Chemical Information Bulletin

, 2000
Periodic supplement for "the regular journals of the American Chemical Society," containing annotated bibliographies of chemical documentation literature as well as information about meetings, conferences, awards, scholarships, and other news from the ...
Flaxbart, David, American Chemical Society. Division of Chemical Information.   +1 more
core  

Controlling Grain Growth in Powder Bed Fusion of Yttria‐Stabilized Zirconia Using Femtosecond Lasers: Challenges and Methodological Insights

Advanced Engineering Materials, EarlyView.
Binder‐free laser powder bed fusion of 8YSZ with a femtosecond laser is used to map process windows linking scan strategy, heat accumulation, and grain growth. Time‐resolved thermography and simulations reveal thermal regimes that enable continuous, vitrified, and fine‐grained 8YSZ surface layers without absorptive additives and demonstrate ...
Markus Kühn, Sarah Kaden, Andrea Barz, Daniel Störzner, Jens Bliedtner, Andrés Fabián Lasagni   +5 more
wiley   +1 more source

Ab Initio Calculation of Rate Constants for Molecule-Surface Reactions with Chemical Accuracy. [PDF]

Angew Chem Int Ed Engl, 2016
Piccini G, Alessio M, Sauer J.
europepmc   +1 more source

Simulation‐Based Analysis of Insert Pull‐Out in Nickel‐Polyurethane Hybrid Foams Using CT‐Derived Geometries

Advanced Engineering Materials, EarlyView.
CT‐based finite element simulations combined with in situ X‐ray computed tomography are used to analyze insert pull‐out in nickel‐coated polymer foams. Despite variations in material parameters, deformation consistently concentrates within a narrow annular region around the insert.
Yannik Bautz, Jonas Fell, Hendrik Jost, Stefan Diebels, Hans‐Georg Herrmann   +4 more
wiley   +1 more source

Toward Real Chemical Accuracy on Current Quantum Hardware Through the Transcorrelated Method. [PDF]

J Chem Theory Comput
Dobrautz W, Sokolov IO, Liao K, Ríos PL, Rahm M, Alavi A, Tavernelli I.   +6 more
europepmc   +1 more source