DOI,IST REx ID,Research Group,Title of publication
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
10.1021/jacs.3c04030,13216,"MaIb,BiCh",Reactivity of single-atom alloy nanoparticles: Modeling the dehydrogenation of propane
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
10.5281/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
10.1038/s41467-020-20821-w,9669,,Quantum-mechanical exploration of the phase diagram of water
null,9695,,Ranking the information content of distance measures
null,9696,,Predicting the phase behaviors of superionic water at planetary conditions
10.1021/acs.chemrev.1c00107,9698,,Combining machine learning and computational chemistry for predictive insights into chemical systems
10.1063/1.5134461,9658,,Classical nucleation theory predicts the shape of the nucleus in homogeneous solidification
10.1103/physrevlett.125.130602,9664,,Computing the heat conductivity of fluids from density fluctuations
10.1039/d0cp02513e,9666,,Predicting the phase diagram of titanium dioxide with random search and pattern recognition
10.1038/s41467-020-19606-y,9671,,Liquid water contains the building blocks of diverse ice phases
10.1021/acs.accounts.0c00403,9675,,Mapping materials and molecules