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| 1 | Active learning for accelerated design of layered materials显示文摘Hetero-structures made from vertically stacked monolayers of transition metal dichalcogenides hold great potential for optoelectronic and thermoelectric devices.Discovery of the optimal layered material for specific applications necessitates the estimation of key material properties,such as electronic band structure and thermal transport coefficients.However,screening of material properties via brute force ab initio calculations of the entire material structure space exceeds the limits of current computing resources.Moreover,the functional dependence of material properties on the structures is often complicated,making simplistic statistical procedures for prediction difficult to employ without large amounts of data collection.Here,we present a Gaussian process regression model,which predicts material properties of an input hetero-structure,as well as an active learning model based on Bayesian optimization,which can efficiently discover the optimal hetero-structure using a minimal number of ab initio calculations.The electronic band gap,conduction/valence band dispersions,and thermoelectric performance are used as representative material properties for prediction and optimization.The Materials Project platform is used for electronic structure computation,while the BoltzTraP code is used to compute thermoelectric properties.Bayesian optimization is shown to significantly reduce the computational cost of discovering the optimal structure when compared with finding an optimal structure by building a regression model to predict material properties.The models can be used for predictions with respect to any material property and our software,including data preparation code based on the Python Materials Genomics(PyMatGen)library as well as python-based machine learning code,is available open source. | Lindsay Bassman Pankaj Rajak Rajiv K.Kalia Aiichiro Nakano Fei Sha Jifeng Sun David J.Singh Muratahan Aykol Patrick Huck Kristin Persson Priya Vashishta | 2018 | npj Computational Materials2018，，1： | 10 |
| 2 | Taking the pulse of COVID-19:a spatiotemporal perspective显示文摘The sudden outbreak of the Coronavirus disease(COVID-19)swept across the world in early 2020,triggering the lockdowns of several billion people across many countries,including China,Spain,India,the U.K.,Italy,France,Germany,Brazil,Russia,and the U.S.The transmission of the virus accelerated rapidly with the most confirmed cases in the U.S.,India,Russia,and Brazil.In response to this national and global emergency,the NSF Spatiotemporal Innovation Center brought together a taskforce of international researchers and assembled implementation strategies to rapidly respond to this crisis,for supporting research,saving lives,and protecting the health of global citizens.This perspective paper presents our collective view on the global health emergency and our effort in collecting,analyzing,and sharing relevant data on global policy and government responses,human mobility,environmental impact,socioeconomical impact;in developing research capabilities and mitigation measures with global scientists,promoting collaborative research on outbreak dynamics,and reflecting on the dynamic responses from human societies. | Chaowei Yang Dexuan Sha Qian Liu Yun Li Hai Lan Weihe Wendy Guan Tao Hu Zhenlong Li Zhiran Zhang John Hoot Thompson Zifu Wang David Wong Shiyang Ruan Manzhu Yu Douglas Richardson Luyao Zhang Ruizhi Hou You Zhoua Cheng Zhong Yifei Tian Fayez Beaini Kyla Carte Colin Flynn Wei Liu Dieter Pfoser Shuming Bao Mei Li Haoyuan Zhang Chunbo Liu Jie Jiang Shihong Du Liang Zhao Mingyue Lu Lin Li Huan Zhou Andrew Ding | 2020 | International Journal of Digital Earth2020，13，10： | 2 |
| 3 | POLICIES AND REGULATIONS FOR PROMOTING MANURE MANAGEMENT FOR SUSTAINABLE LIVESTOCK PRODUCTION IN CHINA:A REVIEW显示文摘Livestock numbers in China have more than tripled between 1980 and 2017.The increase in the number of intensive livestock production systems has created the challenges of decoupled crop and livestock systems,low utilization of manures in croplands,and subsequent environmental pollution.Correspondingly,the government has enacted a series of policies and regulations to increase the sustainability of livestock production.This paper reviews the objectives of these policies and regulations and their impacts on manure management.Since 2017 there have been two policy guides to speed up the appropriate use of manures,three action plans for increasing manure recycling,and one technical guide to calculate nutrient balances.Requirements of manure pollution control and recycling for improved environmental performance of livestock production systems were included in three revised environmental laws.Most recent survey data indicate that the utilization of livestock manures was 70%in 2017,including that used as fertilizer and/or for production of energy.The targets for manure utilization are 75%in 2020 and 90%in 2035.To achieve these targets and promote‘green livestock production’,additional changes are needed including the use of third-party enterprises that facilitate manure exchange between farms and a more integrated manure nutrient management approach. | Sha WEI Zhiping ZHU Jing ZHAO David RCHADWICK Hongmin DONG | 2021 | Frontiers of Agricultural Science and Engineering2021，8，1： | 2 |
| 4 | Spatial Models in Marketing显示文摘 | Eric T. Bradlow Bart Bronnenberg Gary J. Russell Neeraj Arora David R. Bell Sri Devi Duvvuri Frankel Ter Hofstede Catarina Sismeiro Raphael Thomadsen Sha Yang | 2005 | Marketing Letters2005，，： | 1 |
| 5 | Canagliflozin Lowers Postprandial Glucose and Insulin by Delaying Intestinal Glucose Absorption in Addition to Increasing Urinary Glucose Excretion显示文摘 | David Polidori Sue Sha Sunder Mudaliar Theodore P. Ciaraldi Atalanta Ghosh Nicole Vaccaro Kristin Farrell Paul Rothenberg Robert R. Henry | 2013 | Diabetes Care2013，，8： | 1 |
| 6 | Retrograde transport of a traditional Chinese medicine, α-trichosanthin, and its selective neural toxicity显示文摘 | Wei-Zai Shen Ou Sha David Tai-Wai Yew Wing-Hang Kwong | 2009 | Clinical Toxicology2009，，9： | 1 |
| 7 | Exercise Frequency Is Related to Psychopathology but Not Neurocognitive Function显示文摘 | AMY M. KNAB DAVID C. NIEMAN WEI SHA JOSHUA J. BROMAN-FULKS WILLIAM H. CANU | 2012 | Medicine & Science in Sports & Exercise2012，，7： | 1 |
| 8 | Prosecution records reveal pangolin trading networks in China, 2014–2019显示文摘In a precautionary response to the current coronavirus(COVID-19)pandemic,China’s Ministries permanently banned eating and trading in terrestrial wild(non-livestock)animals on 24 February 2020,and extensively updated the list of Fauna under Special State Protection(LFSSP)in 2020 and 2021,in which pangolins(Manidae spp.)were upgraded to the highest protection level.Examining 509 pangolin prosecution records from China Judgements online prior to these changes(01/01/14–31/12/19),we identified that Guangdong,Guangxi and Yunnan Provinces were hotspots for trade in whole pangolins and their scales. | Xiang-Qin Huang Chris Newman Christina D.Buesching Mei-Ling Shao Yun-Chun Ye Sha Liu David W.Macdonald Zhao-Min Zhou | 2021 | Zoological Research2021，42，5： | 1 |
| 9 | Author Correction:Active learning for accelerated design of layered materials显示文摘Since the publication of this work,Lindsay Bassman Oftelie has changed their name from Lindsay Bassman.This has now been amended. | Lindsay Bassman Oftelie Pankaj Rajak Rajiv KKalia Aiichiro Nakano Fei Sha Jifeng Sun David JSingh Muratahan Aykol Patrick Huck Kristin Persson Priya Vashishta | 2022 | npj Computational Materials2022，，1： | 0 |
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