| Publication | Date of Publication | Type |
|---|
| Stability of the minimum energy path | 2024-02-09 | Paper |
| A Multilevel Method for Many-Electron Schrödinger Equations Based on the Atomic Cluster Expansion | 2024-01-17 | Paper |
| Numerical analysis of multiple scattering theory for electronic structure calculations | 2023-08-14 | Paper |
| A finite element configuration interaction method for Wigner localization | 2023-07-03 | Paper |
| QM/MM Methods for Crystalline Defects. Part 3: Machine-Learned MM Models | 2023-06-30 | Paper |
| A Global Optimization Approach for Multimarginal Optimal Transport Problems with Coulomb Cost | 2023-06-14 | Paper |
| Body-ordered approximations of atomic properties | 2022-09-26 | Paper |
| An Adaptive Planewave Method for Electronic Structure Calculations | 2022-06-13 | Paper |
| Convergence of the Discrete Minimum Energy Path | 2022-04-15 | Paper |
| Layer-Splitting Methods for Time-Dependent Schrödinger Equations of Incommensurate Systems | 2022-03-18 | Paper |
| A Mortar Spectral Element Method for Full-Potential Electronic Structure Calculations | 2021-11-03 | Paper |
| A Posteriori Error Estimates for Adaptive QM/MM Coupling Methods | 2021-08-09 | Paper |
| Rigorous body-order approximations of an electronic structure potential energy landscape | 2021-06-23 | Paper |
| Locality of interatomic forces in tight binding models for insulators | 2021-06-11 | Paper |
| Plane wave methods for quantum eigenvalue problems of incommensurate systems | 2020-12-10 | Paper |
| A discontinuous Galerkin scheme for full-potential electronic structure calculations | 2020-12-10 | Paper |
| Adaptive QM/MM coupling for crystalline defects | 2020-04-16 | Paper |
| Geometry equilibration of crystalline defects in quantum and atomistic descriptions | 2019-10-18 | Paper |
| Thermodynamic limit of crystal defects with finite temperature tight binding | 2018-09-21 | Paper |
| Finite Element Approximations in Orbital-Free Density Functional Theory | 2017-11-17 | Paper |
| Error Estimates of Some Numerical Atomic Orbitals in Molecular Simulations | 2017-10-27 | Paper |
| QM/MM Methods for Crystalline Defects. Part 2: Consistent Energy and Force-Mixing | 2017-05-30 | Paper |
| QM/MM Methods for Crystalline Defects. Part 1: Locality of the Tight Binding Model | 2016-05-18 | Paper |
| Pair Densities in Density Functional Theory | 2016-01-11 | Paper |
| Numerical analysis of augmented plane wave methods for full-potential electronic structure calculations | 2015-06-09 | Paper |
| Adaptive Finite Element Approximations for Kohn--Sham Models | 2015-05-21 | Paper |
| Error estimates for Hermite and even-tempered Gaussian approximations in quantum chemistry | 2014-09-09 | Paper |
| Adaptive Finite Element Approximations for a Class of Nonlinear Eigenvalue Problems in Quantum Physics | 2013-05-08 | Paper |
| Numerical analysis of finite dimensional approximations of Kohn-Sham models | 2013-04-15 | Paper |
| Two-scale finite element discretizations for integrodifferential equations | 2012-04-18 | Paper |
| Finite element approximations of nonlinear eigenvalue problems in quantum physics | 2011-12-19 | Paper |
| Geodesic Gabriel Graph Based Supervised Nonlinear Manifold Learning | 2010-12-30 | Paper |
| Numerical approximations of a nonlinear eigenvalue problem and applications to a density functional model | 2010-09-06 | Paper |
| Recovery a Posteriori Error Estimates for General Convex Elliptic Optimal Control Problems Subject to Pointwise Control Constraints | 2010-07-08 | Paper |
| Convergence of Adaptive Finite Element Approximations for Nonlinear Eigenvalue Problems | 2010-01-13 | Paper |
| Phaseless Imaging by Reverse Time Migration: Acoustic Waves | 2009-07-22 | Paper |
| Convergence of the Planewave Approximations for Quantum Incommensurate Systems | N/A | Paper |
