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