Results 181 to 190 of about 325,628 (259)

BACH, a Bayesian Optimization Protocol for Accurate Coarse‐Grained Parameterization of Organic Liquids

Advanced Functional Materials, EarlyView.
We present a fully automated Bayesian optimization (BO) protocol for the parameterization of nonbonded interactions in coarse‐grain CG force fields (BACH). Using experimental thermophysical data, we apply the protocol to a broad range of liquids, spanning linear, branched, and unsaturated hydrocarbons, esters, triglycerides, and water.
Janak Prabhu, Akhil Pratap Singh, Pablo Campomanes, Stefano Vanni   +3 more
wiley   +1 more source

Support for art interventions in children's hospitals and design strategies for alleviating negative emotions. [PDF]

Front Pediatr
Wang L, Zheng D.
europepmc   +1 more source

In‐Situ Solution Complexation for n‐Type Surface‐Energetics Reconstruction in 2.0 eV Ultra‐Wide‐Bandgap Perovskite Solar Cells

Advanced Functional Materials, EarlyView.
A reactive in situ solution complexation strategy reconstructs the surface of 2.0 eV ultra‐wide‐bandgap perovskites via proton transfer. This chemical modulation eliminates metallic defects and induces a degenerate‐like n‐type surface, establishing an Ohmic tunneling contact.
Saemon Yoon, Han‐Gyun Lim, Jinyoung Kim, Gyu Min Kim, Seojun Lee, Jun Ryu, SungWon Cho, Jincheol Kim, Hyosung Choi, Jung Sang Cho, Jongsung Park, Dong‐Won Kang   +11 more
wiley   +1 more source

FastSCODE: an accelerated SCODE algorithm for inferring gene regulatory networks on manycore processors. [PDF]

Bioinformatics
Sung R, Woo S, Shin D, Kim J, Lee D.
europepmc   +1 more source

Constructing Ionic Fast Diffusion Channels on LiNi0.5Mn1.5O4 for Lithium‐Ion Batteries

Advanced Functional Materials, EarlyView.
A dual‐modification strategy is developed for LNMO cathode, where bulk Ti doping stabilizes the oxygen framework and simultaneously drives the in situ formation of LaTi2O6 nano‐islands as ion diffusion channels on (111) surfaces, enabling high‐rate capacity (∼100 mAh g−1 at 30 C) and excellent cycling retention (87.8% after 1000 cycles).
Xinyi Zhang, Sicheng Wu, Xuzhao Liu, Haocheng Guo, Jian Peng, Xia Huang, Xiaobo Zhu, Yuhui Ge, Haochen Lu, Shuhao Wang, Lianzhou Wang   +10 more
wiley   +1 more source

Effectiveness, acceptability and oral health-related quality of life of silver diamine fluoride compared with atraumatic restorative treatment for the management of early childhood caries: protocol of a pragmatic randomised clinical trial. [PDF]

BMJ Open
Muñoz Millán P, Pineda P, Fontana M, Freyhofer VA, Ormeño A, Muñoz K, Martinez-Zapata MJ, Zaror C.   +7 more
europepmc   +1 more source

Achieving High ON State Current through Ferroelectric Polarization‐Dependent Interfacial Resistance Switching in Undoped Orthorhombic HfO2 Films

Advanced Functional Materials, EarlyView.
Ferroelectric tunnel junction devices based on epitaxial undoped ferroelectric HfO2 films demonstrate stable switching endurance of over 106 switching cycles, low write voltages of ±3 V, 16 measured resistance states, and neuromorphic capability.
Markus Hellenbrand, Nuno Estrócio, Ji S. Kim, Babak Bakhit, Marian C. Istrate, Corneliu Ghica, Tiago Rebelo, Nives Strkalj, Abin Varghese, Bernardo Almeida, Luís S. Marques, Bipin Rajendran, Judith L. MacManus‐Driscoll, José P. B. Silva   +13 more
wiley   +1 more source

Optimizing augmented reality for visual communication design and user experience in public Art to support sustainable engagement. [PDF]

Sci Rep
Al Qwaid M, Sarker MT, Karim HA.
europepmc   +1 more source

Furan‐Substituted Phosphine‐Oxide as an Efficient Interfacial Modifier for Wide‐Bandgap Perovskite Solar Cells

Advanced Functional Materials, EarlyView.
We report phosphine‐oxide interlayers for wide‐bandgap perovskite solar cells, in which tuned P = O Lewis basicity enables selective passivation of buried NiOx/perovskite interfaces and introduces interfacial dipoles that strengthen the built‐in field.
JeeHee Hong, Juan Anthony Prayogo, Soobin Heo, Jae Sung Yun, Dong Ryeol Whang, Dong Wook Chang, Hui Joon Park   +6 more
wiley   +1 more source