DOI: 10.1021/jp013346k. Canonical Adiabatic Free Energy Sampling (CAFES): A Novel Method for the Exploration of Free Energy Surfaces

Canonical Adiabatic Free Energy Sampling (CAFES): A Novel Method for the Exploration of Free Energy Surfaces

10.1021/jp013346k

Crossref journal-article

American Chemical Society (ACS)

The Journal of Physical Chemistry B (316)

Bibliography

VandeVondele, J., & Rothlisberger, U. (2001). Canonical Adiabatic Free Energy Sampling (CAFES):â A Novel Method for the Exploration of Free Energy Surfaces. The Journal of Physical Chemistry B, 106(1), 203â208.

Authors 2

Joost VandeVondele (first)
Ursula Rothlisberger (additional)

References 27 Referenced 63

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{'key': 'jp013346kb00004/jp013346kb00004_1', 'volume-title': 'Oxford University Press:\u2009 New York', 'author': 'Combined Quantum Mechanical', 'year': '1998'} / Oxford University Press: New York by Combined Quantum Mechanical (1998)
10.1063/1.434125 / J. Chem. Phys. by Torrie G. M. (1977)
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10.1021/ja01875a070 / J. Am. Chem. Soc. by Winstein S. (1939)
10.1021/ja01265a081 / J. Am. Chem. Soc. by Winstein S. (1939)
{'key': 'jp013346kb00010/jp013346kb00010_1', 'volume-title': 'Advanced Organic Chemistry', 'author': 'March J.', 'year': '1992'} / Advanced Organic Chemistry by March J. (1992)
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10.1103/PhysRevA.44.6334 / Phys. Rev. A by Pastore G. (1991)
10.1063/1.475562 / J. Chem. Phys. by Dellago C. (1998)
10.1016/S0010-4655(00)00038-2 / Comput. Phys. Comm. by Zaloj V. (2000)
10.1021/jp984217f / J. Phys. Chem. A by Scott W. R. P. (1999)
{'key': 'jp013346kb00021/jp013346kb00021_1', 'volume-title': 'Intermolecular Forces', 'author': 'Berendsen H. J. C.', 'year': '1981'} / Intermolecular Forces by Berendsen H. J. C. (1981)
{'key': 'jp013346kb00022/jp013346kb00022_1', 'first-page': '464', 'volume': '23', 'author': 'Hünenberger P.', 'year': '2000', 'journal-title': 'J. Chem. Phys.'} / J. Chem. Phys. by Hünenberger P. (2000)
CPMD, Hutter, J.; Alavi, A.; Deutsch, T.; Bernasconi, M.; St. Goedecker, Marx, D.; Tuckerman, M.; Parrinello, M. MPI für Festkörperforschung and IBM Zurich Research Laboratory 1995−1999.
10.1063/1.463940 / J. Chem. Phys. by Martyna G. J. (1992)
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{'key': 'jp013346kb00030/jp013346kb00030_1', 'first-page': '1810', 'volume': '110', 'author': 'Martyna G.', 'year': '1999', 'journal-title': 'J. Chem. Phys.'} / J. Chem. Phys. by Martyna G. (1999)

Dates

Type	When
Created	23 years, 1 month ago (July 26, 2002, 12:45 a.m.)
Deposited	2 years, 5 months ago (March 16, 2023, 6:30 a.m.)
Indexed	2 months ago (June 23, 2025, 10:24 a.m.)
Issued	23 years, 8 months ago (Dec. 13, 2001)
Published	23 years, 8 months ago (Dec. 13, 2001)
Published Online	23 years, 8 months ago (Dec. 13, 2001)
Published Print	23 years, 7 months ago (Jan. 1, 2002)

Funders 0

None

BibTeX

@article{VandeVondele_2001, title={Canonical Adiabatic Free Energy Sampling (CAFES): A Novel Method for the Exploration of Free Energy Surfaces}, volume={106}, ISSN={1520-5207}, url={http://dx.doi.org/10.1021/jp013346k}, DOI={10.1021/jp013346k}, number={1}, journal={The Journal of Physical Chemistry B}, publisher={American Chemical Society (ACS)}, author={VandeVondele, Joost and Rothlisberger, Ursula}, year={2001}, month=dec, pages={203–208} }

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