_id,doi,title
15052,10.1103/physrevb.109.054305,Impact of strain-insensitive low-frequency phonon modes on lattice thermal transport in AxXB6-type perovskites
14425,10.1038/s41467-023-41865-8,Mechanistic insight on water dissociation on pristine low-index TiO2 surfaces from machine learning molecular dynamics simulations
14603,10.1063/5.0173341,A streamlined molecular-dynamics workflow for computing solubilities of molecular and ionic crystals
14605,10.1103/PhysRevB.108.174302,"Role of high-order lattice anharmonicity in the phonon thermal transport of silver halide AgX (X=Cl,Br, I)"
14619,10.5281/ZENODO.8398094,BingqingCheng/solubility: V1.0
13118,10.1038/s41567-023-02074-8,Melting curve of superionic ammonia at planetary interior conditions
13216,10.1021/jacs.3c04030,Reactivity of single-atom alloy nanoparticles: Modeling the dehydrogenation of propane
13231,10.1103/PhysRevE.107.065207,X-ray Thomson scattering spectra from density functional theory molecular dynamics simulations based on a modified Chihara formula
12702,10.1038/s41467-023-36841-1,Thermodynamics of diamond formation from hydrocarbon mixtures in planets
12879,10.1039/d3sc00841j,Physics-inspired machine learning of localized intensive properties
12912,10.1063/5.0146711,Computing chemical potentials of adsorbed or confined fluids
13039,10.1103/PhysRevB.107.134109,Ab initio calculation of the reflectivity of molecular fluids under shock compression
10827,10.1063/5.0079844,"High-pressure phase behaviors of titanium dioxide revealed by a Δ-learning potential"
11937,10.1038/s41467-022-32374-1,Thermodynamics of high-pressure ice phases explored with atomistic simulations
12128,10.1088/2632-2153/ac4d11,BenchML: An extensible pipelining framework for benchmarking representations of materials and molecules at scale
12249,10.1063/5.0107059,Computing chemical potentials of solutions from structure factors