Title	Publication Date	Language	Citations
Active learning of uniformly accurate interatomic potentials for materials simulation	2019/02/25	English	51
SISSO: A compressed-sensing method for identifying the best low-dimensional descriptor in an immensity of offered candidates	2018/08/07	English	28
Achieving DFT accuracy with a machine-learning interatomic potential: Thermomechanics and defects in bcc ferromagnetic iron	2018/01/30	English	19
Performance of the strongly constrained and appropriately normed density functional for solid-state materials	2018/06/22	English	17
Exciton-polaron spectral structures in two-dimensional hybrid lead-halide perovskites	2018/06/29	English	15
Nonlocal van der Waals functionals for solids: Choosing an appropriate one	2019/06/05	English	13
Accurate force field for molybdenum by machine learning large materials data	2017/09/15	English	13
Accurate absolute core-electron binding energies of molecules, solids, and surfaces from first-principles calculations	2019/10/14	English	12
Searching for crystal-ice domains in amorphous ices	2018/07/02	English	12
Synthesis and characterization of bulk Nd1−xSrxNiO2 and Nd1−xSrxNiO3	2020/08/21	English	12
Electronic properties of doped and defective NiO: A quantum Monte Carlo study	2017/12/28	English	11
Evaluation of van der Waals density functionals for layered materials	2018/03/22	English	11
Band gap of corundumlike α−Ga2O3 determined by absorption and ellipsometry	2017/07/18	English	11
Predictions of new ABO3 perovskite compounds by combining machine learning and density functional theory	2018/04/11	English	11
Two-channel anomalous Hall effect in SrRuO3	2020/05/18	English	11
Experimental observation of high intrinsic thermal conductivity of AlN	2020/04/23	English	10
Ionic tuning of cobaltites at the nanoscale	2018/10/03	English	10
Predicting plasticity in disordered solids from structural indicators	2020/11/24	English	10
Evaluating transition metal oxides within DFT-SCAN and SCAN+U frameworks for solar thermochemical applications	2018/09/13	English	10
Local lattice distortion in high-entropy alloys	2017/07/19	English	9
One-hundred-three compound band-structure benchmark of post-self-consistent spin-orbit coupling treatments in density functional theory	2017/08/30	English	9
Dark excitons in transition metal dichalcogenides	2018/01/17	English	9
Electrode potential from density functional theory calculations combined with implicit solvation theory	2018/09/13	English	9
Machine learning with force-field-inspired descriptors for materials: Fast screening and mapping energy landscape	2018/08/03	English	9
Stable biexcitons in two-dimensional metal-halide perovskites with strong dynamic lattice disorder	2018/03/08	English	9
Design and analysis of machine learning exchange-correlation functionals via rotationally invariant convolutional descriptors	2019/06/12	English	9
Universality of point defect structure in body-centered cubic metals	2019/01/10	English	9
High-entropy oxides: An emerging prospect for magnetic rare-earth transition metal perovskites	2019/03/13	English	9
Nonempirical dielectric-dependent hybrid functional with range separation for semiconductors and insulators	2018/07/24	English	9
Crystal structure prediction accelerated by Bayesian optimization	2018/01/09	English	8