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- Evolutionary niching in the GAtor genetic algorithm for molecular crystal structure prediction. Farren Curtis, Timothy Rose, Noa Marom
, Faraday Discuss.
, 2018
, 211
, 61
- Development and boundaries in the field of supramolecular synthons. Klaus Merz, Vera Vasylyeva
, CrystEngComm
, 2010
, 12
, 3989
- Accurate and efficient polymorph energy ranking with XDM-corrected hybrid DFT. Alastair J. A. Price, R. Alex Mayo, Alberto Otero-de-la-Roza, Erin R. Johnson
, CrystEngComm
, 2023
, 25
, 953
- Crystal structure prediction of CL-20 polymorphs using a tailor-made polarizable force field. Yiding Ma, Yilin Cao, Tao Yu, Zhixiang Zhang, Weipeng Lai, Chao Chen, Linyuan Wen, Yingzhe Liu
, CrystEngComm
, 2023
, 25
, 4272