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Machine-guided path sampling to discover mechanisms of molecular self-organization.
Nat Comput Sci. 2023 Apr;3(4):334-345. doi: 10.1038/s43588-023-00428-z. Epub 2023 Apr 24.
Nat Comput Sci. 2023.
PMID: 38177937
Free PMC article.
Solvent reaction coordinate for an SN2 reaction.
Leitold C, Mundy CJ, Baer MD, Schenter GK, Peters B.
Leitold C, et al.
J Chem Phys. 2020 Jul 14;153(2):024103. doi: 10.1063/5.0002766.
J Chem Phys. 2020.
PMID: 32668925
Item in Clipboard
Solid-solid phase equilibria in the NaCl-KCl system.
Anwar J, Leitold C, Peters B.
Anwar J, et al. Among authors: leitold c.
J Chem Phys. 2020 Apr 14;152(14):144109. doi: 10.1063/5.0003224.
J Chem Phys. 2020.
PMID: 32295378
Item in Clipboard
The generic unfolding of a biomimetic polymer during force spectroscopy.
Chaimovich A, Leitold C, Dellago C.
Chaimovich A, et al. Among authors: leitold c.
Soft Matter. 2020 Apr 29;16(16):3941-3951. doi: 10.1039/c9sm02545f.
Soft Matter. 2020.
PMID: 32267254
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Nucleation and structural growth of cluster crystals.
Leitold C, Dellago C.
Leitold C, et al.
J Chem Phys. 2016 Aug 21;145(7):074504. doi: 10.1063/1.4960958.
J Chem Phys. 2016.
PMID: 27544116
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A string reaction coordinate for the folding of a polymer chain.
Leitold C, Lechner W, Dellago C.
Leitold C, et al.
J Phys Condens Matter. 2015 May 20;27(19):194126. doi: 10.1088/0953-8984/27/19/194126. Epub 2015 Apr 29.
J Phys Condens Matter. 2015.
PMID: 25923377
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Folding mechanism of a polymer chain with short-range attractions.
Leitold C, Dellago C.
Leitold C, et al.
J Chem Phys. 2014 Oct 7;141(13):134901. doi: 10.1063/1.4896560.
J Chem Phys. 2014.
PMID: 25296831
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