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Atomistic Simulation @ Cambridge

Department of Materials Science & Metallurgy

Studying at Cambridge

Recent Publications

Enhanced Visible Light Absorption for Lead-free Double Perovskite Cs2AgSbBr6

From Atomistic Simulation @ Cambridge. Published on Mar 12, 2019.

Polymorphism in M(H2PO2)3 (M = V, Al, Ga) compounds with the perovskite-related ReO3 structure

From Atomistic Simulation @ Cambridge. Published on Feb 18, 2019.

Effect of magnetism and temperature on the stability of (Crx,V1-x)2AlC phases

From Atomistic Simulation @ Cambridge. Published on Dec 28, 2018.

Fundamental carrier lifetime exceeding 1 μs in Cs2AgBiBr6 double perovskite

From Atomistic Simulation @ Cambridge. Published on May 23, 2018.

Learning models for electron densities with Bayesian regression

From Atomistic Simulation @ Cambridge. Published on Apr 09, 2018.

[Am]Mn(H2POO)3: a new family of hybrid perovskites based on the hypophosphite ligand

From Atomistic Simulation @ Cambridge. Published on Oct 25, 2017.

Controlling Ag diffusion in ZnO by donor doping: A first principles study

From Atomistic Simulation @ Cambridge. Published on Sep 15, 2017.

Breaking the electrical barrier between copper and carbon nanotubes

From Atomistic Simulation @ Cambridge. Published on Jun 06, 2017.

Anomalous diffusion of single metal atoms on a graphene oxide support

From Atomistic Simulation @ Cambridge. Published on Apr 21, 2017.

Identifying early stage precipitation in large-scale atomistic simulations of superalloys

From Atomistic Simulation @ Cambridge. Published on Feb 16, 2017.

Improving the electrical properties of carbon nanotubes with inter halogen compounds

From Atomistic Simulation @ Cambridge. Published on Jan 10, 2017.

Synthesis and Properties of a Lead-Free Hybrid Double Perovskite: (CH3NH3)2AgBiBr6

From Atomistic Simulation @ Cambridge. Published on Jan 06, 2017.

Impact of amorphization on the electronic properties of Zn-Ir-O systems

From Atomistic Simulation @ Cambridge. Published on Jun 29, 2016.

Resolving the Physical Origin of Octahedral Tilting in Halide Perovskites

From Atomistic Simulation @ Cambridge. Published on May 27, 2016.

Synthesis, crystal structure, and properties of a perovskite-related bismuth phase, (NH4)3Bi2I9

From Atomistic Simulation @ Cambridge. Published on Feb 29, 2016.