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arXiv · Materials Science· Janine George, Matthew K. Horton, Aaron D. Kaplan, Se\'an R. Kavanagh, Janosh Riebesell, Andrew S. Rosen, Haoyu Yang, Felix Adams, Mahdi Amachraa, Oxana Andriuc, Omar A. Ashour, Saurabh Bajaj, Ella Banyas, Luis Barroso-Luque, Karlo Berket, Noam Bernstein, Arpit Bhardwaj, Ali Hussain Umar Bhatti, Samuel M. Blau, Brandon Bocklund, Alexander Bonkowski, Danny Broberg, Guillaume Brunin, Kyle Bystrom, Charles A. Cardot, Rees Chang, Chi Chen, Wei Chen, Xin Chen, Yuan Chiang, Kamal Choudhary, Orion A. Cohen, Miguel D. Costa, Stephen T. Dacek III, Maarten de Jong, Tom Demeyere, Alan K. Dozier, Alexander Dunn, Shyam Dwaraknath, Maxwell T. Dylla, Kristjan Eimre, Alexander R. Epstein, Christina Ertural, Marco Esters, Matthew L. Evans, Johannes Falke, Adam Fekete, Bernard Field, Alexandr Fonari, Nathan C. Frey, Dale W. Gaines II, Alex M. Ganose, Matteo Giantomassi, Rhys E. A. Goodall, Petre-Flaviu Gostin, Aayush Gupta, Viet-Anh Ha, Geoffroy Hautier, Niclas Heinsdorf, Michael F. Herbst, Tingzheng Hou, Patrick Huck, Yuji Ikeda, Adam J. Jackson, Saivenkataraman Jayaraman, Finn R. Kearns, Sunghyun Kim, Ryan S. Kingsbury, Adam M. Krajewski, Yu Kumagai, Matthew C. Kuner, William T. Laderer, Weitang Li, Xiang-Guo Li, Yu Hsuan Liang, Hanyu Liu, Ke Liu, Miao Liu, Ahmad Lutfi, Olivier Marchand, Matthew J. McDermott, Bharat K. Medasani, Fanchen Meng, Kyle D. Miller, Henrique Miranda, Rohith Srinivaas Mohanakrishnan, Joseph H. Montoya, Guy C. Moore, Benjamin J. Morgan, Jason M. Munro, Koki Muraoka, Aakash A. Naik, Willis O'Leary, Anthony Onwuli, Jaesuk Park, Drew F. Parsons, Kai Pei, Guido Petretto, Thomas A. R. Purcell, Ji Qi, Xiaohui Qu, Ihor Radchenko, Nav Nidhi Rajput, Francesco Ricci, Benjamin S. Rich, William D. Richards, Gian-Marco Rignanese, Xiaoxu Ruan, Germain Salvato Vallverdu, Jonathan Schmidt, Jimmy-Xuan Shen, Ryuichi Shimogawa, Kohei Shinohara, Arunima K. Singh, Eric Sivonxay, Stef Smeets, Tess E. Smidt, Andrei Sobolev, Evan Walter Clark Spotte-Smith, Christopher Stihl, Wenhao Sun, Jack D. Sundberg, Yuta Suzuki, Leopold Talirz, Hanmei Tang, Eric Taw, Cooper Tezak, F\'elix Therrien, Scott D. Thiel, Steven B. Torrisi, Mark E. Turiansky, Katharina Ueltzen, Michiel J. van Setten, Josua Vieten, Sudarshan Vijay, Nicholas Wagner, Frank Wan, Amanda Wang, Jingyang Wang, Zhenbin Wang, Logan Ward, Thomas Warford, David Waroquiers, Mingjian Wen, Oskar Weser, Nicholas Winner, Donald Winston, Michael Wolloch, Brandon M. Wood, Rachel Woods-Robinson, Yihan Xiao, Yaoshu Xie, Firat Yalcin, Ruo Xi Yang, Weike Ye, Pezhman Zarabadi-Poor, Jinzhe Zeng, Hongsheng Zhao, Kaifeng Zheng, He Zhu, Zhuoying Zhu, Nils E. R. Zimmermann, Daniel Z\"ugner, Kristin A. Persson, Anubhav Jain, Shyue Ping Ong·· 6 小时前

pymatgen回顾15年社区发展、新功能与未来展望

pymatgen: 15 years of community growth, new functionality, and future prospects

arXiv:2610.23538v1阅读论文 PDF ↗

仅依据论文摘要整理;未读取全文,实验条件、证明与基准细节请核对原文。

作者:Janine George, Matthew K. Horton, Aaron D. Kaplan, Se\'an R. Kavanagh, Janosh Riebesell, Andrew S. Rosen, Haoyu Yang, Felix Adams, Mahdi Amachraa, Oxana Andriuc, Omar A. Ashour, Saurabh Bajaj, Ella Banyas, Luis Barroso-Luque, Karlo Berket, Noam Bernstein, Arpit Bhardwaj, Ali Hussain Umar Bhatti, Samuel M. Blau, Brandon Bocklund, Alexander Bonkowski, Danny Broberg, Guillaume Brunin, Kyle Bystrom, Charles A. Cardot, Rees Chang, Chi Chen, Wei Chen, Xin Chen, Yuan Chiang, Kamal Choudhary, Orion A. Cohen, Miguel D. Costa, Stephen T. Dacek III, Maarten de Jong, Tom Demeyere, Alan K. Dozier, Alexander Dunn, Shyam Dwaraknath, Maxwell T. Dylla, Kristjan Eimre, Alexander R. Epstein, Christina Ertural, Marco Esters, Matthew L. Evans, Johannes Falke, Adam Fekete, Bernard Field, Alexandr Fonari, Nathan C. Frey, Dale W. Gaines II, Alex M. Ganose, Matteo Giantomassi, Rhys E. A. Goodall, Petre-Flaviu Gostin, Aayush Gupta, Viet-Anh Ha, Geoffroy Hautier, Niclas Heinsdorf, Michael F. Herbst, Tingzheng Hou, Patrick Huck, Yuji Ikeda, Adam J. Jackson, Saivenkataraman Jayaraman, Finn R. Kearns, Sunghyun Kim, Ryan S. Kingsbury, Adam M. Krajewski, Yu Kumagai, Matthew C. Kuner, William T. Laderer, Weitang Li, Xiang-Guo Li, Yu Hsuan Liang, Hanyu Liu, Ke Liu, Miao Liu, Ahmad Lutfi, Olivier Marchand, Matthew J. McDermott, Bharat K. Medasani, Fanchen Meng, Kyle D. Miller, Henrique Miranda, Rohith Srinivaas Mohanakrishnan, Joseph H. Montoya, Guy C. Moore, Benjamin J. Morgan, Jason M. Munro, Koki Muraoka, Aakash A. Naik, Willis O'Leary, Anthony Onwuli, Jaesuk Park, Drew F. Parsons, Kai Pei, Guido Petretto, Thomas A. R. Purcell, Ji Qi

研究任务与主要进展

pymatgen论文回顾了Python材料基因组学库15年的社区发展、开源基础及其对计算材料科学工作流的支持。基于论文摘要,作者还讨论了社区驱动演进中的挑战与潜在解决方案,并展望其在计算材料科学和材料信息学发展中的持续演化。

阶段、条件与复现 · 深读核对

  • 新能力对应什么具体任务与最小输入输出?
  • 代码、模型、数据、许可与可用入口是否明确?
  • 效果、总成本、失效条件与实际工作流如何验证?

这些是阅读核对问题;材料未说明的条件保留未知。请结合上方论文版本、资料范围与原文核验。

来源:arXiv · Materials Science · arxiv.org