Year |
Citation |
Score |
2023 |
Xiang Y, Tang YH, Gong Z, Liu H, Wu L, Lin G, Sun H. Efficient Exploration of Chemical Compound Space Using Active Learning for Prediction of Thermodynamic Properties of Alkane Molecules. Journal of Chemical Information and Modeling. PMID 37857374 DOI: 10.1021/acs.jcim.3c01430 |
0.548 |
|
2019 |
Wu L, Sun H. Manipulation of cholesteric liquid crystal phase behavior and molecular assembly by molecular chirality. Physical Review. E. 100: 022703. PMID 31574769 DOI: 10.1103/Physreve.100.022703 |
0.638 |
|
2019 |
Wu Y, Sun H, Wu L, Deetz JD. Extracting the mechanisms and kinetic models of complex reactions from atomistic simulation data. Journal of Computational Chemistry. PMID 30802325 DOI: 10.1002/Jcc.25809 |
0.503 |
|
2018 |
Gong Z, Wu Y, Wu L, Sun H. Predicting Thermodynamic Properties of Alkanes by High-throughput Force Field Simulation and Machine Learning. Journal of Chemical Information and Modeling. PMID 30205676 DOI: 10.1021/Acs.Jcim.8B00407 |
0.564 |
|
2018 |
Wu L, Malijevský A, Avendaño C, Müller EA, Jackson G. Demixing, surface nematization, and competing adsorption in binary mixtures of hard rods and hard spheres under confinement. The Journal of Chemical Physics. 148: 164701. PMID 29716204 DOI: 10.1063/1.5020002 |
0.643 |
|
2017 |
Wu L, Sun H. Cholesteric ordering predicted using a coarse-grained polymeric model with helical interactions. Soft Matter. PMID 29211101 DOI: 10.1039/C7Sm02077E |
0.639 |
|
2017 |
Yang C, Shen Z, Wu L, Tang H, Zhao L, Cao F, Sun H. Prediction of self-assemblies of sodium dodecyl sulfate and fragrance additives using coarse-grained force fields. Journal of Molecular Modeling. 23: 211. PMID 28643001 DOI: 10.1007/S00894-017-3364-2 |
0.563 |
|
2015 |
Wu L, Malijevský A, Jackson G, Müller EA, Avendaño C. Publisher's Note: "Orientational ordering and phase behaviour of binary mixtures of hard spheres and hard spherocylinders" [J. Chem. Phys. 143, 044906 (2015)]. The Journal of Chemical Physics. 143: 189904. PMID 26567693 DOI: 10.1063/1.4935131 |
0.663 |
|
2015 |
Wu L, Malijevský A, Jackson G, Müller EA, Avendaño C. Orientational ordering and phase behaviour of binary mixtures of hard spheres and hard spherocylinders. The Journal of Chemical Physics. 143: 044906. PMID 26233163 DOI: 10.1063/1.4923291 |
0.681 |
|
2013 |
Wu L, Jackson G, Müller EA. Liquid crystal phase behaviour of attractive disc-like particles. International Journal of Molecular Sciences. 14: 16414-42. PMID 23965962 DOI: 10.3390/Ijms140816414 |
0.635 |
|
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