Nuclear Quantum Effects in Water and Aqueous Systems: Experiment, Theory, and Current Challenges
École Polytechnique Fédérale de Lausanne · Thomas Young Centre · +6 more institutions
Abstract
Nuclear quantum effects influence the structure and dynamics of hydrogen-bonded systems, such as water, which impacts their observed properties with widely varying magnitudes. This review highlights the recent significant developments in the experiment, theory, and simulation of nuclear quantum effects in water. Novel experimental techniques, such as deep inelastic neutron scattering, now provide a detailed view of the role of nuclear quantum effects in water's properties. These have been combined with theoretical developments such as the introduction of the principle of competing quantum effects that allows the subtle interplay of water's quantum effects and their manifestation in experimental observables to…
Citation impact
- FWCI
- 43.19
- Percentile
- 100%
- References
- 298
Authors
7- MCMichele CeriottiCorresponding
École Polytechnique Fédérale de Lausanne
- WFWei Fang
Thomas Young Centre, University College London, London Centre for Nanotechnology
- PGPeter G. Kusalik
University of Calgary
- RHRoss H. McKenzie
University of Queensland
- AMAngelos Michaelides
Thomas Young Centre, London Centre for Nanotechnology, University College London
Topics & keywords
- Observable
- Quantum
- Chemistry
- Statistical physics
- Theoretical physics
- Quantum mechanics
- Physics
- Clean water and sanitation
Funding
- APAlfred P. Sloan Foundation
- RCResearch Corporation for Science Advancement
- RSRoyal Society
- WFWolfson Foundation
- SNSchweizerischer Nationalfonds zur Förderung der Wissenschaftlichen ForschungAward: 200021-159896
- RSRoyal Swedish Academy of Sciences
- VVetenskapsrådet
- CCCompetence Centre for Materials Science and Technology
- NSNatural Sciences and Engineering Research Council of Canada
- EREuropean Research CouncilAward: 616121
- BEBasic Energy SciencesAwards: DE-SC0014437, DE-AC52-07NA27344