Zobrazeno 1 - 10
of 305
pro vyhledávání: '"Lee , Alpha A."'
Materials with high-dielectric constant easily polarize under external electric fields, allowing them to perform essential functions in many modern electronic devices. Their practical utility is determined by two conflicting properties: high dielectr
Externí odkaz:
http://arxiv.org/abs/2401.05848
Autor:
Riebesell, Janosh, Goodall, Rhys E. A., Benner, Philipp, Chiang, Yuan, Deng, Bowen, Ceder, Gerbrand, Asta, Mark, Lee, Alpha A., Jain, Anubhav, Persson, Kristin A.
The rapid adoption of machine learning (ML) in domain sciences necessitates best practices and standardized benchmarking for performance evaluation. We present Matbench Discovery, an evaluation framework for ML energy models, applied as pre-filters f
Externí odkaz:
http://arxiv.org/abs/2308.14920
Autor:
Griffiths, Ryan-Rhys, Klarner, Leo, Moss, Henry B., Ravuri, Aditya, Truong, Sang, Stanton, Samuel, Tom, Gary, Rankovic, Bojana, Du, Yuanqi, Jamasb, Arian, Deshwal, Aryan, Schwartz, Julius, Tripp, Austin, Kell, Gregory, Frieder, Simon, Bourached, Anthony, Chan, Alex, Moss, Jacob, Guo, Chengzhi, Durholt, Johannes, Chaurasia, Saudamini, Strieth-Kalthoff, Felix, Lee, Alpha A., Cheng, Bingqing, Aspuru-Guzik, Alán, Schwaller, Philippe, Tang, Jian
We introduce GAUCHE, a library for GAUssian processes in CHEmistry. Gaussian processes have long been a cornerstone of probabilistic machine learning, affording particular advantages for uncertainty quantification and Bayesian optimisation. Extending
Externí odkaz:
http://arxiv.org/abs/2212.04450
Ion transport in concentrated electrolytes plays a fundamental role in electrochemical systems such as lithium ion batteries. Nonetheless, the mechanism of transport amid strong ion-ion interactions remains enigmatic. A key question is whether the dy
Externí odkaz:
http://arxiv.org/abs/2208.03182
Autor:
Welch, Stephen R., Bilello, John P., Carter, Kara, Delang, Leen, Dirr, Larissa, Durantel, David, Feng, Joy Y., Gowen, Brian B., Herrero, Lara J., Janeba, Zlatko, Kleymann, Gerald, Lee, Alpha A., Meier, Chris, Moffat, Jennifer, Schang, Luis M., Schiffer, Joshua T., Seley-Radtke, Katherine L., Sheahan, Timothy P., Spengler, Jessica R.
Publikováno v:
In Antiviral Research December 2024 232
Autor:
Riebesell, Janosh, Surta, Todd Wesley, Goodall, Rhys Edward Andrew, Gaultois, Michael William, Lee, Alpha Albert
Publikováno v:
In Cell Reports Physical Science 16 October 2024 5(10)
Autor:
Goodall, Rhys E. A., Parackal, Abhijith S., Faber, Felix A., Armiento, Rickard, Lee, Alpha A.
A fundamental challenge in materials science pertains to elucidating the relationship between stoichiometry, stability, structure, and property. Recent advances have shown that machine learning can be used to learn such relationships, allowing the st
Externí odkaz:
http://arxiv.org/abs/2106.11132
Datasets in the Natural Sciences are often curated with the goal of aiding scientific understanding and hence may not always be in a form that facilitates the application of machine learning. In this paper, we identify three trends within the fields
Externí odkaz:
http://arxiv.org/abs/2105.02637
Autor:
Griffiths, Ryan-Rhys, Jiang, Jiachen, Buisson, Douglas J. K., Wilkins, Dan R., Gallo, Luigi C., Ingram, Adam, Lee, Alpha A., Grupe, Dirk, Kara, Erin, Parker, Michael L., Alston, William, Bourached, Anthony, Cann, George, Young, Andrew, Komossa, S.
The optical and UV variability of the majority of AGN may be related to the reprocessing of rapidly-changing X-ray emission from a more compact region near the central black hole. Such a reprocessing model would be characterised by lags between X-ray
Externí odkaz:
http://arxiv.org/abs/2103.06838
Electrolytes play an important role in a plethora of applications ranging from energy storage to biomaterials. Notwithstanding this, the structure of concentrated electrolytes remains enigmatic. Many theoretical approaches attempt to model the concen
Externí odkaz:
http://arxiv.org/abs/2012.10694