Thats a unique idea.You should consider the following idea to enhance your idea so that it would impact uniquely: Background#R##N#Non-covalent interactions (NCIs) play critical roles in supramolecular chemistries; hover, they are difficult to measure. Currently, reliable computational methods are being pursued to meet this challenge, but the accuracy of calculations based on low levels of theory is not satisfactory and calculations based on high levels of theory are often too costly. Accordingly, to reduce the cost and increase the accuracy of low-level theoretical calculations to describe NCIs, an efficient approach is proposed to correct NCI calculations based on the benchmark databases S22, S66 and X40 (Hobza in Acc Chem Rev 45: 663–672, 2012; Řezac et al. in J Chem Theory Comput 8:4285, 2012).
['Ting Gao', 'Hongzhi Li', 'Wenze Li', 'Lin Li', 'Chao Fang', 'Hui Li', 'Li Hong Hu', 'Yinghua Lu', 'Zhong-Min Su']
I am writing a research paper on a idea A machine learning correction for DFT non-covalent interactions based on the S22, S66 and X40 benchmark databases
[{"from": "human", "value": "I am writing a research paper on a idea A machine learning correction for DFT non-covalent interactions based on the S22, S66 and X40 benchmark databases"}, {"from": "gpt", "value": "Thats a unique idea.You should consider the following idea to enhance your idea so that it would impact uniquely: Background#R##N#Non-covalent interactions (NCIs) play critical roles in supramolecular chemistries; hover, they are difficult to measure. Currently, reliable computational methods are being pursued to meet this challenge, but the accuracy of calculations based on low levels of theory is not satisfactory and calculations based on high levels of theory are often too costly. Accordingly, to reduce the cost and increase the accuracy of low-level theoretical calculations to describe NCIs, an efficient approach is proposed to correct NCI calculations based on the benchmark databases S22, S66 and X40 (Hobza in Acc Chem Rev 45: 663\u2013672, 2012; \u0158ezac et al. in J Chem Theory Comput 8:4285, 2012)."}]