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3篇 您的检索式:作者名="Janice Lan"
    题名 作者 年代 出处 被引量
1Primary biliary cirrhosis is associated with altered hepatic microRNA expression显示文摘Kerstien A. Padgett Ruth Y. Lan Patrick C. Leung Ana Lleo Kevin Dawson Janice Pfeiff Tin K. Mao Ross L. Coppel Aftab A. Ansari M. Eric Gershwin 2009Journal of Autoimmunity . 2009 (3-4)2009,,3:1
2Primary biliary cirrhosis is associated with altered hepatic microRNA expression显示文摘Kerstien A. Padgett Ruth Y. Lan Patrick C. Leung Ana Lleo Kevin Dawson Janice Pfeiff Tin K. Mao Ross L. Coppel Aftab A. Ansari M. Eric Gershwin 2009Journal of Autoimmunity (-)2009,,3:1
3AdsorbML: a leap in efficiency for adsorption energy calculations using generalizable machine learning potentials显示文摘Computational catalysis is playing an increasingly significant role in the design of catalysts across a wide range of applications.A common task for many computational methods is the need to accurately compute the adsorption energy for an adsorbate and a catalyst surface of interest.Traditionally,the identification of low-energy adsorbate-surface configurations relies on heuristic methods and researcher intuition.As the desire to perform high-throughput screening increases,it becomes challenging to use heuristics and intuition alone.In this paper,we demonstrate machine learning potentials can be leveraged to identify low-energy adsorbate-surface configurations more accurately and efficiently.Our algorithm provides a spectrum of trade-offs between accuracy and efficiency,with one balanced option finding the lowest energy configuration 87.36%of the time,while achieving a~2000×speedup in computation.To standardize benchmarking,we introduce the Open Catalyst Dense dataset containing nearly 1000 diverse surfaces and~100,000 unique configurations.Janice Lan Aini Palizhati Muhammed Shuaibi Brandon M.Wood Brook Wander Abhishek Das Matt Uyttendaele C.Lawrence Zitnick Zachary W.Ulissi 2023npj Computational Materials2023,,1:0
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