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SaveBLOCK2: A comprehensive open source framework to develop and apply state-of-the-art DMRG algorithms in electronic structure and beyond
Zhai, Huanchen; Larsson, Henrik R.; Lee, Seunghoon; Cui, Zhi-Hao; Zhu, Tianyu; Sun, Chong; Peng, Linqing; Peng, Ruojing; Liao, Ke; Tolle, Johannes; Yang, Junjie; Li, Shuoxue; Chan, Garnet Kin-Lic
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SaveSELFIES and the future of molecular string representations
Krenn, Mario; Ai, Qianxiang; Barthel, Senja; Carson, Nessa; Frei, Angelo; Frey, Nathan C.; Friederich, Pascal; Gaudin, Theophile; Gayle, Alberto Alexander; Jablonka, Kevin Maik; Lameiro, Rafael F.; Lemm, Dominik; Lo, Alston; Moosavi, Seyed Mohamad; Napoles-Duarte, Jose Manuel; Nigam, AkshatKumar; Pollice, Robert; Rajan, Kohulan; Schatzschneider, Ulrich; Schwaller, Philippe; Skreta, Marta; Smit, Berend; Strieth-Kalthoff, Felix; Sun, Chong; Tom, Gary; von Rudorff, Guido Falk; Wang, Andrew; White, Andrew D.; Young, Adamo; Yu, Rose; Aspuru-Guzik, Alan
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SaveRecent developments in the PySCF program package
Sun, Qiming; Zhang, Xing; Banerjee, Samragni; Bao, Peng; Barbry, Marc; Blunt, Nick S.; Bogdanov, Nikolay A.; Booth, George H.; Chen, Jia; Cui, Zhi-Hao; Eriksen, Janus Juul; Gao, Yang; Guo, Sheng; Hermann, Jan; Hermes, Matthew R.; Koh, Kevin; Koval, Peter; Lehtola, Susi; Li, Zhendong; Liu, Junzi; Mardirossian, Narbe; McClain, James D.; Motta, Mario; Mussard, Bastien; Pham, Hung Q.; Pulkin, Artem; Purwanto, Wirawan; Robinson, Paul J.; Ronca, Enrico; Sayfutyarova, Elvira; Scheurer, Maximilian; Schurkus, Henry F.; Smith, James E. T.; Sun, Chong; Sun, Shi-Ning; Upadhyay, Shiv; Wagner, Lucas K.; Wang, Xiao; White, Alec; Whitfield, James Daniel; Williamson, Mark J.; Wouters, Sebastian; Yang, Jun; Yu, Jason M.; Zhu, Tianyu; Berkelbach, Timothy C.; Sharma, Sandeep; Sokolov, Alexander; Chan, Garnet Kin-Lic
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SaveDetermining eigenstates and thermal states on a quantum computer using quantum imaginary time evolution (vol 75, pg 457, 2019)
Motta, Mario; Sun, Chong; Tan, Adrian T. K.; O'Rourke, Matthew J.; Ye, Erika; Minnich, Austin J.; Brandao, Fernando G. S. L.; Chan, Garnet Kin-Lic
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SaveDetermining eigenstates and thermal states on a quantum computer using quantum imaginary time evolution (vol 16, pg 205, 2019)
Motta, Mario; Sun, Chong; Tan, Adrian T. K.; O'Rourke, Matthew J.; Ye, Erika; Minnich, Austin J.; Brandao, Fernando G. S. L.; Chan, Garnet Kin-Lic
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