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SaveShare Save Share Save Share Save Share Save Share Save Share Save Share Save Highly efficient path-integral molecular dynamics simulations with GPUMD using neuroevolution potentials: Case studies on thermal properties of materials
Ying, Penghua; Zhou, Wenjiang; Svensson, Lucas; Berger, Esmee; Fransson, Erik; Eriksson, Fredrik; Xu, Ke; Liang, Ting; Xu, Jianbin; Song, Bai; Chen, Shunda; Erhart, Paul; Fan, Zheyong Share Save Share Save General-purpose machine-learned potential for 16 elemental metals and their alloysSong, Keke; Zhao, Rui; Liu, Jiahui; Wang, Yanzhou; Lindgren, Eric; Wang, Yong; Chen, Shunda; Xu, Ke; Liang, Ting; Ying, Penghua; Xu, Nan; Zhao, Zhiqiang; Shi, Jiuyang; Wang, Junjie; Lyu, Shuang; Zeng, Zezhu; Liang, Shirong; Dong, Haikuan; Sun, Ligang; Chen, Yue; Zhang, Zhuhua; Guo, Wanlin; Qian, Ping; Sun, Jian; Erhart, Paul; Ala-Nissila, Tapio; Su, Yanjing; Fan, Zheyong Share Save Share Save Share Save Share Save Share Save Tensorial Properties via the Neuroevolution Potential Framework: Fast Simulation of Infrared and Raman SpectraXu, Nan; Rosander, Petter; Scha''fer, Christian; Lindgren, Eric; O''sterbacka, Nicklas; Fang, Mandi; Chen, Wei; He, Yi; Fan, Zheyong; Erhart, Paul Share Save Phonon-Bottleneck Enhanced Exciton Emission in 2D PerovskitesThompson, Joshua J. P.; Dyksik, Mateusz; Peksa, Paulina; Posmyk, Katarzyna; Joki, Ambjoern; Perea-Causin, Raul; Erhart, Paul; Baranowski, Michal; Loi, Maria Antonietta; Plochocka, Paulina; Malic, Ermin Share Save GPAW: An open Python package for electronic structure calculationsMortensen, Jens Jorgen; Larsen, Ask Hjorth; Kuisma, Mikael; Ivanov, Aleksei V.; Taghizadeh, Alireza; Peterson, Andrew; Haldar, Anubhab; Dohn, Asmus Ougaard; Schafer, Christian; Jonsson, Elvar Orn; Hermes, Eric D.; Nilsson, Fredrik Andreas; Kastlunger, Georg; Levi, Gianluca; Jonsson, Hannes; Hakkinen, Hannu; Fojt, Jakub; Kangsabanik, Jiban; Sodequist, Joachim; Lehtomaki, Jouko; Heske, Julian; Enkovaara, Jussi; Winther, Kirsten Trostrup; Dulak, Marcin; Melander, Marko M.; Ovesen, Martin; Louhivuori, Martti; Walter, Michael; Gjerding, Morten; Lopez-Acevedo, Olga; Erhart, Paul; Warmbier, Robert; Wuerdemann, Rolf; Kaappa, Sami; Latini, Simone; Boland, Tara Maria; Bligaard, Thomas; Skovhus, Thorbjorn; Susi, Toma; Maxson, Tristan; Rossi, Tuomas; Chen, Xi; Schmerwitz, Yorick Leonard A.; Schiotz, Jakob; Olsen, Thomas; Jacobsen, Karsten Wedel; Thygesen, Kristian Sommer Share Save Share Save Share Save 
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