i-PI: A Python interface for ab initio path integral molecular dynamics simulations
10.1016/j.cpc.2013.10.027
Crossref journal-article
Elsevier BV
Computer Physics Communications (78)
Bibliography

Ceriotti, M., More, J., & Manolopoulos, D. E. (2014). i-PI: A Python interface for ab initio path integral molecular dynamics simulations. Computer Physics Communications, 185(3), 1019–1026.

Authors 3
  1. Michele Ceriotti (first)
  2. Joshua More (additional)
  3. David E. Manolopoulos (additional)
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Dates
Type When
Created 11 years, 9 months ago (Nov. 4, 2013, 1:16 a.m.)
Deposited 4 years, 4 months ago (April 3, 2021, 4:15 a.m.)
Indexed 1 week, 3 days ago (Aug. 12, 2025, 6:14 p.m.)
Issued 11 years, 5 months ago (March 1, 2014)
Published 11 years, 5 months ago (March 1, 2014)
Published Print 11 years, 5 months ago (March 1, 2014)
Funders 2
  1. EU Marie Curie IEF
    Awards1
    1. PIEF- GA-2010-272402
  2. Wolfson Foundation and the Royal Society

@article{Ceriotti_2014, title={i-PI: A Python interface for ab initio path integral molecular dynamics simulations}, volume={185}, ISSN={0010-4655}, url={http://dx.doi.org/10.1016/j.cpc.2013.10.027}, DOI={10.1016/j.cpc.2013.10.027}, number={3}, journal={Computer Physics Communications}, publisher={Elsevier BV}, author={Ceriotti, Michele and More, Joshua and Manolopoulos, David E.}, year={2014}, month=mar, pages={1019–1026} }