Spatially Resolved Thermodynamic Integration: An Efficient Method To Compute Chemical Potentials of Dense Fluids-Reference-Cited by-同舟云学术

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Spatially Resolved Thermodynamic Integration: An Efficient Method To Compute Chemical Potentials of Dense Fluids

Published:2018-06-06 Issue:7 Volume:14 Page:3409-3417
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Heidari Maziar¹^ORCID,Kremer Kurt¹^ORCID,Cortes-Huerto Robinson¹,Potestio Raffaello¹²³^ORCID

Affiliation:

1. Max Planck Institute for Polymer Research, Ackermannweg 10, 55128 Mainz, Germany

2. Physics Department, University of Trento, via Sommarive 14 Povo, Trento 38123, Italy

3. INFN-TIFPA, Trento Institute for Fundamental Physics and Applications, I-38123 Trento, Italy

Funder

Deutsche Forschungsgemeinschaft

Alexander von Humboldt-Stiftung

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.8b00002

Reference63 articles.

1. Chemical potential—a quantity in search of recognition

2. The elusive chemical potential

3. Thermally-nucleated self-assembly of water and alcohol into stable structures at hydrophobic interfaces

4. Water Is the Key to Nonclassical Nucleation of Amorphous Calcium Carbonate

5. Stable prenucleation mineral clusters are liquid-like ionic polymers

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