DOI,IST REx ID,Research Group,Title of publication
10.1063/5.0316886,21381,BiCh,Long-range electrostatics for machine learning interatomic potentials is easier than we thought
10.1021/acsmaterialslett.5c00263,20011,BiCh,Thermal transport of amorphous hafnia across the glass transition
10.1038/s41467-025-63852-x,20452,BiCh,Machine learning of charges and long-range interactions from energies and forces
10.1073/pnas.2415664122,20492,BiCh,Lattice distortion leads to glassy thermal transport in crystalline Cs3Bi2I6Cl3
10.1073/pnas.2510235122,20702,BiCh,Cartesian equivariant representations for learning and understanding molecular orbitals
10.1021/acs.jctc.5c01248,20704,"BiCh,DaAl",Scalable multitemperature free energy sampling of classical Ising spin states
10.1038/s41467-024-55449-7,18820,"AnSa,BiCh",Automatic feature selection and weighting in molecular systems using Differentiable Information Imbalance
10.1038/s41524-025-01577-7,19495,BiCh,Latent Ewald summation for machine learning of long-range interactions
10.1021/acs.jctc.5c01400,20926,"GradSch,BiCh",A universal augmentation framework for long-range electrostatics in machine learning interatomic potentials
10.1038/s41524-025-01911-z,20990,BiCh,Machine learning interatomic potential can infer electrical response
10.1021/acs.jctc.4c00998,18452,BiCh,Response matching for generating materials and molecules
10.1107/s2052520624007492,18952,BiCh,The seventh blind test of crystal structure prediction: Structure generation methods
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/s41467-024-46799-3,15311,BiCh,Pushing thermal conductivity to its lower limit in crystals with simple structures
10.1063/5.0200833,15359,BiCh,Molecular dynamics simulations of heat transport using machine-learned potentials: A mini-review and tutorial on GPUMD with neuroevolution potentials
10.1063/5.0217232,17278,"BiCh,GradSch",Integrating molecular dynamics simulations and experimental data for azeotrope predictions in binary mixtures
10.1038/s41524-024-01332-4,17322,BiCh,Cartesian atomic cluster expansion for machine learning interatomic potentials
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)"