Results 181 to 190 of about 28,829 (258)

SCF Framework, HF Stability, and RPA Correlation for Jordan-Wigner-Transformed Spin Hamiltonians on Arbitrary Coupling Topologies. [PDF]

J Chem Theory Comput
Tabrizi SG, Henderson TM, Kühne TD, Scuseria GE.   +3 more
europepmc   +1 more source

Design and Implementation of a Nearly Zero Energy Building

Proceedings of the Annual Conference of the Institute of Image Electronics Engineers of Japan, 2018
Liu, Peng, Chen, Xin, Ma, Yaze, Zhang, Mengjiao   +3 more
openaire   +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

Logic Gates Based on Skyrmions. [PDF]

Nanomaterials (Basel)
Shu Y, Li Q, Zhang W, Peng Y, Lai P, Zhao G.   +5 more
europepmc   +1 more source

Mixed‐Metal Promotion in a Manganese‐Molybdenum Oxynitride as Catalyst to Integrate C─C and C─N Coupling Reactions for the Direct Synthesis of Acetonitrile from Syngas and Ammonia

Advanced Materials, EarlyView.
Transition metal oxy/carbo‐nitrides show great promise as catalysts for sustainable processes. A Mn‐Mo mixed‐metal oxynitride attains remarkable performance for the direct synthesis of acetonitrile, an important commodity chemical, via sequential C─N and C─C coupling from syngas (C1) and ammonia (N1) feedstocks.
M. Elena Martínez‐Monje, Wilson Henao, Tania Rodenas, Patricia Concepción, Virginia Pérez Dieste, Alexander Missyul, Giovanni Agostini, Gonzalo Prieto   +7 more
wiley   +1 more source

A numerical framework for an electrically-charged PCM brick to reduce winter peak heating demand. [PDF]

Sci Rep
Alturki R, Ali ABM, Alkhatib OJ, Mahariq I.   +3 more
europepmc   +1 more source

Spin and Charge Control of Topological End States in Chiral Graphene Nanoribbons on a 2D Ferromagnet

Advanced Materials, EarlyView.
Chiral graphene nanoribbons on a ferromagnetic gadolinium‐gold surface alloy display tunable spin and charge states at their termini. Atomic work function variations and exchange fields enabe transitions between singlet, doublet, and triplet configurations.
Leonard Edens, Francisco Romero‐Lara, Trisha Sai, Kalyan Biswas, Manuel Vilas‐Varela, Thomas Frederiksen, Diego Peña, Fabian Schulz, Jose Ignacio Pascual   +8 more
wiley   +1 more source

Interaction effect of courtyard building form and orientation on energy performance of hospitals in warm humid climate. [PDF]

Sci Rep
Harshalatha, Patil S.
europepmc   +1 more source

Opportunities of Semiconducting Oxide Nanostructures as Advanced Luminescent Materials in Photonics

Advanced Materials, EarlyView.
The review discusses the challenges of wide and ultrawide bandgap semiconducting oxides as a suitable material platform for photonics. They offer great versatility in terms of tuning microstructure, native defects, doping, anisotropy, and micro‐ and nano‐structuring. The review focuses on their light emission, light‐confinement in optical cavities, and
Ana Cremades, Pedro Hidalgo, David Maestre, Ruth Martínez‐Casado, Emilio Nogales, Beatriz Rodríguez, G. Cristian Vásquez, Bianchi Méndez   +7 more
wiley   +1 more source

The potential of rooftop PV for prosumer energy provision globally

Zhang Z, Luderer G, Napiontek J, Zharova A, Creutzig F.   +4 more
europepmc   +1 more source