Results 281 to 290 of about 3,479,040 (391)

Thermodynamic Calculation and Analysis on Precipitated Phases in Heat-Resistant Steel T91

, 2008
郝珊, 李国忠, 王福明, 李长荣
openalex   +1 more source

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

Amyloidogenic Peptide Fragments Designed From Bacterial Collagen‐like Proteins Form Hydrogel

Advanced Functional Materials, EarlyView.
This study identified amyloidogenic sequence motifs in bacterial collagen‐like proteins and exploited these to design peptides that self‐assemble into β‐sheet fibers and form hydrogels. One hydrogel supported healthy fibroblast growth, showing promise for biocompatible materials. Our work demonstrates that bacterial sequences can be harnessed to create
Vamika Sagar, Xuen J Ng, Lukas Lechel, Ashish Chand Rajwar, Hendrik Bargel, Abhishek A. Jalan   +5 more
wiley   +1 more source

Interfacial Stability and Design Strategies for Halide Solid Electrolytes in High-Voltage All-Solid-State Sodium-Ion Batteries. [PDF]

Small Methods
Jang M, Kwon E, Jeon C, Kim S, Yu S.
europepmc   +1 more source

Unlocking the composition-property landscape of nickel-based superalloys: a machine learning framework integrating gradient experiments and thermodynamic calculations

Yahang Mu
openalex   +1 more source

Methodological Frameworks for Computational Electrocatalysis: From Theory to Practice. [PDF]

Small Methods
Re Fiorentin M, Bianchi MG, Christiansen MAH, Ciotti A, Risplendi F, Wang W, Jónsson EÖ, Jónsson H, Cicero G.   +8 more
europepmc   +1 more source

Integrative Thermodynamic Strategies in Microbial Metabolism. [PDF]

Int J Mol Sci
Bekker M, Ebenhöh O.
europepmc   +1 more source

Mechanisms of curcumin adsorption in metal-substituted MOF-74 frameworks using DFT and MD simulations. [PDF]

Sci Rep
Wang Y, Li M, Duanmu P, Yang H, Yuan H, Li X.   +5 more
europepmc   +1 more source

Calorimetric Studies of the Silver-Titanium System. [PDF]

Molecules
Gozdur W, Gierlotka W, Gąsior W, Wierzbicka-Miernik A, Czeppe T, Budziak A, Radziwonko A, Pęska M, Dębski A.   +8 more
europepmc   +1 more source

Calculation of Thermodynamic and Transport Properties of Less Simple Metals

, 2002
M.A. Khaleque, Ferdows Zahid, G.M. Bhuiyan, Rashid, R I M A   +3 more
openalex   +1 more source