Results 151 to 160 of about 114,035 (266)

Machine Learning Interatomic Potentials for Energy Materials: Architectures, Training Strategies, and Applications

Advanced Energy Materials, EarlyView.
Machine learning interatomic potentials bridge quantum accuracy and computational efficiency for materials discovery. Architectures from Gaussian process regression to equivariant graph neural networks, training strategies including active learning and foundation models, and applications in solid‐state electrolytes, batteries, electrocatalysts ...
In Kee Park, Saeed Pourasad, Jinhong Mun, Arunkumar Chitteth Rajan, Tae Hyeon Park, Anand Rohit, Mohammad Zafari, Tan‐Lien Pham, Eunjae Jung, Bonseung Koo, Miran Ha, Gi Beom Sim, Hyun Gyu Park, Won Woong Choi, Kwanghyeon Jo, Soohaeng Yoo Willow, David ChangMo Yang, Chang Woo Myung, Geunsik Lee, Kwang S. Kim   +19 more
wiley   +1 more source

Authors' response to comment on evaluation of high dose post-dialytic versus daily beta-lactam dosing in hemodialysis patients using Monte Carlo simulation. [PDF]

Int J Clin Pharm
Lewis SJ, Bauman AJ, Caiazza OG, Wan N, Payer S, Pauly OG, Shoemaker S.   +6 more
europepmc   +1 more source

Molecular Interfacial Regulators Enable Stable Sulfide Electrolytes for High‐Performance All‐Solid‐State Batteries

Advanced Energy Materials, EarlyView.
Molecular surface regulation enabled by fluoropyridines stabilizes sulfide electrolyte interfaces across both reductive and oxidative regimes. By suppressing interfacial decomposition, the modified LPSClBr enables high‐voltage operation, stable stripping/plating of Li metal, and long‐life full cells with uncoated cathodes.
Laras Fadillah, Hanna Türk, Weicheng Hua, Leonie Braks, Mingliang Liu, Jihoon Oh, Michele Ceriotti, Mario El Kazzi, Jang Wook Choi, Ali Coskun   +9 more
wiley   +1 more source

Feasibility of public CPR training kiosks to increase bystander resuscitation: a Monte Carlo simulation study. [PDF]

Resusc Plus
Ohle R, Savage DW, Roy D, Yadav K, Chhabra S, McIsaac S.   +5 more
europepmc   +1 more source

Integrated Bipolar Membrane Electrodialysis and Electrolysis for CO2 Capture and Conversion

Advanced Energy Materials, EarlyView.
This work demonstrates an integrated BMEED platform that couples CO2 capture and conversion within a single modular system. By combining BMED with CO2E, high‐purity CO is produced while avoiding intermediate stripping, excessive capital and O&M costs, and external gas feeds.
Hyuck Joo Choi, Hakhyeon Song, Mohammed Tahmid, Hyeonuk Choi, Jihun Oh, Marta C. Hatzell   +5 more
wiley   +1 more source

Monte Carlo Simulation on Adiabatic Ensembles and a Genetic Algorithm. [PDF]

Entropy (Basel)
Silva Fernandes FMS.
europepmc   +1 more source

Accounting for Substitution: Improving Estimates of GHG Reductions From Cattle‐Based Product Demand Shifts

Applied Economic Perspectives and Policy, EarlyView.
ABSTRACT Estimates of reductions in greenhouse gas (GHG) emissions from lower demand for cattle‐based products must account for substitution effects. This study collected data through two surveys—one on ground beef and another on dairy milk—to evaluate substitution effects and potential GHG reductions.
Brandon R. McFadden, Sara Gardner Hedgecock, Lawton L. Nalley, Alvaro Durand‐Morat, Aaron Shew, Rodolfo M. Nayga Jr   +5 more
wiley   +1 more source

Co-Administration Dosing of Ceftazidime-Avibactam and Aztreonam in Patients with Varying Renal Function for Carbapenem-Resistant Enterobacterales Infections via Monte Carlo Simulation. [PDF]

Infect Chemother
Hemapanpairoa J, Saelim W, Changpradub D, Santimaleeworagun W.   +3 more
europepmc   +1 more source

Hemp Cultivation and Crop Diversification: Implications for Ecosystem Services in Kentucky

Applied Economic Perspectives and Policy, EarlyView.
ABSTRACT This study examines the ecosystem benefits of expanding hemp cultivation by assessing its impact on crop diversity. Using scenario‐based simulations and fixed‐effect panel regressions with county‐level data in Kentucky, we find that increased hemp acreage tends to enhance crop diversity, improving water quality and bird diversity.
Yunsun Park, Seong D. Yun, Brandy E. Phipps, Tyler Mark, Craig Schluttenhofer   +4 more
wiley   +1 more source

Experimental and Monte Carlo simulation study on photons shielding properties of ZrO₂-reinforced polyester composites utilizing GEANT4 and MCNP codes. [PDF]

Sci Rep
Abdollahi M, Jafari A, Saray AA.
europepmc   +1 more source