Results 201 to 210 of about 128,537,122 (247)

Calculating Thermodynamic Factors for Diffusion Using the Continuous Fractional Component Monte Carlo Method. [PDF]

J Chem Theory Comput
Hulikal Chakrapani T, Hajibeygi H, Moultos OA, Vlugt TJH.   +3 more
europepmc   +1 more source

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

The Influence of B₄C Film Density on Damage Threshold Based on Monte Carlo Method for X-ray Mirror. [PDF]

Materials (Basel)
Sui T, Zhuo H, Tang A, Ju X.
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

Experimentally Determined Spatiotemporal Charge Carrier Dynamics for the Development of Particulate Photocatalysts

Advanced Energy Materials, EarlyView.
This review looks at the different experimental techniques that measure spatiotemporal charge carrier dynamics. This information is viewed in the context of particulate photocatalysts, outlining the insights these techniques provide and how they advance our understanding.
Sutripto Khasnabis, Robert Godin
wiley   +1 more source

Free Charge Generation in Organic Photoconversion Devices–the Impact of Electrostatic Potentials

Advanced Energy Materials, EarlyView.
Free charge generation in organic photovoltaic and photodetector devices typically requires an external driving force to separate bound excitons formed upon photoexcitation. This review details how electrostatic potentials, arising from molecular charge distributions in organic semiconductors, can impact interfacial energetic landscapes and promote ...
Emily J. Yang, Song Yi Park, Vick Y. Qiu, Ji‐Seon Kim   +3 more
wiley   +1 more source

Advances in Monte Carlo Method for Simulating the Electrical Percolation Behavior of Conductive Polymer Composites with a Carbon-Based Filling. [PDF]

Polymers (Basel)
Zhang Z, Hu L, Wang R, Zhang S, Fu L, Li M, Xiao Q.   +6 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

Application of the adaptive Monte Carlo method for uncertainty evaluation in the determination of total testosterone in human serum by triple isotope dilution mass spectrometry. [PDF]

Anal Bioanal Chem
Liu G, Wang H, Han Y, Liu C, Liang M.
europepmc   +1 more source

Differentiated Impacts of EU Rural Development Measures: A Finite Mixture Evaluation of Italian Olive Farms

Applied Economic Perspectives and Policy, EarlyView.
ABSTRACT This paper examines the relationship between participation in the EU Rural Development Program and the economic performance of Italian olive farms using a finite‐mixture model with inverse‐probability‐weighted regression adjustment. Based on 2010–2022 FADN panel data, it estimates heterogeneous treatment effects while correcting for selection ...
Francesco Caracciolo, Marilena Furno
wiley   +1 more source