Browse by UCL people
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Number of items: 8.
Article
Chen, J;
Li, X-Z;
Zhang, Q;
Probert, MIJ;
Pickard, CJ;
Needs, RJ;
Michaelides, A;
(2013)
Quantum simulation of low-temperature metallic liquid hydrogen.
Nature communications
, 4
, Article 2064. 10.1038/ncomms3064.
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Chen, J;
Ren, X;
Li, XZ;
Alfè, D;
Wang, E;
(2014)
On the room-temperature phase diagram of high pressure hydrogen: an ab initio molecular dynamics perspective and a diffusion Monte Carlo study.
The Journal of Chemical Physics
, 141
(2)
, Article 024501. 10.1063/1.4886075.
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Chen, J;
Schusteritsch, G;
Pickard, CJ;
Salzmann, CG;
Michaelides, A;
(2017)
Double-layer ice from first principles.
Physical Review B
, 95
(9)
, Article 094121. 10.1103/PhysRevB.95.094121.
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Chen, J;
Schusteritsch, G;
Pickard, CJ;
Salzmann, CG;
Michaelides, A;
(2016)
Two Dimensional Ice from First Principles: Structures and Phase Transitions.
Physical Review Letters
, 116
(2)
, Article 025501. 10.1103/PhysRevLett.116.025501.
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Chen, J;
Zen, A;
Brandenburg, JG;
Alfe, D;
Michaelides, A;
(2016)
Evidence for stable square ice from quantum Monte Carlo.
Physical Review B
, 94
(22)
, Article 220102(R). 10.1103/PhysRevB.94.220102.
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Fang, W;
Chen, J;
Rossi, M;
Feng, Y;
Li, XZ;
Michaelides, A;
(2016)
Inverse Temperature Dependence of Nuclear Quantum Effects in DNA Base Pairs.
Journal of Physical Chemistry Letters
, 7
(11)
pp. 2125-2131.
10.1021/acs.jpclett.6b00777.
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Feng, Y;
Chen, J;
Alfè, D;
Li, X-Z;
Wang, E;
(2015)
Nuclear quantum effects on the high pressure melting of dense lithium.
The Journal of Chemical Physics
, 142
(6)
, Article 064506. 10.1063/1.4907752.
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Sosso, GC;
Chen, J;
Cox, SJ;
Fitzner, M;
Pedevilla, P;
Zen, A;
Michaelides, A;
(2016)
Crystal Nucleation in Liquids: Open Questions and Future Challenges in Molecular Dynamics Simulations.
Chemical Reviews
, 116
(12)
pp. 7078-7116.
10.1021/acs.chemrev.5b00744.
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