Title	Publication Date	Language	Citations
Machine learning based interatomic potential for amorphous carbon	2017/03/03	English	64
Atomic cluster expansion for accurate and transferable interatomic potentials	2019/01/08	English	59
Accurate interatomic force fields via machine learning with covariant kernels	2017/06/08	English	42
Unifying time evolution and optimization with matrix product states	2016/10/10	English	40
Efficient and accurate machine-learning interpolation of atomic energies in compositions with many species	2017/07/21	English	40
Hierarchical quantum master equation approach to electronic-vibrational coupling in nonequilibrium transport through nanosystems	2016/11/15	English	37
On-the-fly machine learning force field generation: Application to melting points	2019/07/17	English	34
More realistic band gaps from meta-generalized gradient approximations: Only in a generalized Kohn-Sham scheme	2016/05/24	English	33
Zero-temperature localization in a sub-Ohmic spin-boson model investigated by an extended hierarchy equation of motion	2017/06/28	English	29
Efficient nonparametricn-body force fields from machine learning	2018/05/24	English	28
Accelerating crystal structure prediction by machine-learning interatomic potentials with active learning	2019/02/27	English	27
Cubic scalingGW: Towards fast quasiparticle calculations	2016/10/05	English	26
Prediction model of band gap for inorganic compounds by combination of density functional theory calculations and machine learning techniques	2016/03/01	English	26
Hybrid solvation models for bulk, interface, and membrane: Reference interaction site methods coupled with density functional theory	2017/09/18	English	25
Theory of finite size effects for electronic quantum Monte Carlo calculations of liquids and solids	2016/07/12	English	25
Benchmark tests of a strongly constrained semilocal functional with a long-range dispersion correction	2016/09/21	English	23
Hydrodynamics of operator spreading and quasiparticle diffusion in interacting integrable systems	2018/12/17	English	22
Spectral functions of the uniform electron gas via coupled-cluster theory and comparison to theGWand related approximations	2016/06/20	English	21
Four-phonon scattering significantly reduces intrinsic thermal conductivity of solids	2017/10/27	English	21
Ab initiotensorial electronic friction for molecules on metal surfaces: Nonadiabatic vibrational relaxation	2016/09/23	English	21
Neural-network-enhanced evolutionary algorithm applied to supported metal nanoparticles	2018/05/16	English	21
Polynomial similarity transformation theory: A smooth interpolation between coupled cluster doubles and projected BCS applied to the reduced BCS Hamiltonian	2016/03/14	English	21
Electric multipole moments, topological multipole moment pumping, and chiral hinge states in crystalline insulators	2017/12/11	English	21
Determination of spin torque efficiencies in heterostructures with perpendicular magnetic anisotropy	2016/04/08	English	20
Including crystal structure attributes in machine learning models of formation energies via Voronoi tessellations	2017/07/14	English	20
Discovering phase transitions with unsupervised learning	2016/11/02	English	19
Deorbitalized meta-GGA exchange-correlation functionals in solids	2018/09/28	English	19
Boosting the accuracy and speed of quantum Monte Carlo: Size consistency and time step	2016/06/29	English	18
Comparative first-principles studies of prototypical ferroelectric materials by LDA, GGA, and SCAN meta-GGA	2017/07/24	English	18
Relevance of the Pauli kinetic energy density for semilocal functionals	2019/10/25	English	18