| Publication | Date of Publication | Type |
|---|
Atomic cluster expansion without self-interaction
Journal of Computational Physics | 2024-10-08 | Paper |
A posteriori error estimate and adaptivity for QM/MM models of crystalline defects
Computer Methods in Applied Mechanics and Engineering | 2024-07-03 | Paper |
A theoretical case study of the generalization of machine-learned potentials
Computer Methods in Applied Mechanics and Engineering | 2024-04-11 | Paper |
Stability of the minimum energy path
Numerische Mathematik | 2024-02-09 | Paper |
A Multilevel Method for Many-Electron Schrödinger Equations Based on the Atomic Cluster Expansion
SIAM Journal on Scientific Computing | 2024-01-17 | Paper |
Polynomial approximation of symmetric functions
Mathematics of Computation | 2024-01-02 | Paper |
Elastic Far-Field Decay from Dislocations in Multilattices
Multiscale Modeling & Simulation | 2023-12-13 | Paper |
A Framework for a Generalization Analysis of Machine-Learned Interatomic Potentials
Multiscale Modeling & Simulation | 2023-10-20 | Paper |
Thermodynamic Limits of Electronic Systems
| 2023-09-10 | Paper |
QM/MM Methods for Crystalline Defects. Part 3: Machine-Learned MM Models
Multiscale Modeling & Simulation | 2023-06-30 | Paper |
Body-ordered approximations of atomic properties
Archive for Rational Mechanics and Analysis | 2022-09-26 | Paper |
Asymptotic expansion of the elastic far-field of a crystalline defect
Archive for Rational Mechanics and Analysis | 2022-08-12 | Paper |
Crouzeix-Raviart finite element method for non-autonomous variational problems with Lavrentiev gap
Numerische Mathematik | 2022-07-28 | Paper |
Atomic cluster expansion: completeness, efficiency and stability
Journal of Computational Physics | 2022-05-05 | Paper |
Convergence of the Discrete Minimum Energy Path
| 2022-04-15 | Paper |
Optimal Evaluation of Symmetry-Adapted $n$-Correlations Via Recursive Contraction of Sparse Symmetric Tensors
| 2022-02-08 | Paper |
A posteriori error estimates for adaptive QM/MM coupling methods
SIAM Journal on Scientific Computing | 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
ESAIM: Mathematical Modelling and Numerical Analysis | 2021-06-11 | Paper |
Analysis of cell size effects in atomistic crack propagation
ESAIM: Mathematical Modelling and Numerical Analysis | 2021-06-11 | Paper |
Point defects in tight binding models for insulators
M\(^3\)AS. Mathematical Models \& Methods in Applied Sciences | 2021-05-07 | Paper |
Modeling and computation of Kubo conductivity for two-dimensional incommensurate bilayers
Multiscale Modeling & Simulation | 2021-02-05 | Paper |
Thermodynamic limit of the transition rate of a crystalline defect
Archive for Rational Mechanics and Analysis | 2020-10-16 | Paper |
Sharp uniform convergence rate of the supercell approximation of a crystalline defect
SIAM Journal on Numerical Analysis | 2020-01-21 | Paper |
Analysis of an atomistic model for anti-plane fracture
M\(^3\)AS. Mathematical Models \& Methods in Applied Sciences | 2019-12-03 | Paper |
Atomic Cluster Expansion: Completeness, Efficiency and Stability
| 2019-11-08 | Paper |
Geometry equilibration of crystalline defects in quantum and atomistic descriptions
M\(^3\)AS. Mathematical Models \& Methods in Applied Sciences | 2019-10-18 | Paper |
Some Remarks on Preconditioning Molecular Dynamics
The SMAI journal of computational mathematics | 2019-07-03 | Paper |
The effect of crystal symmetries on the locality of screw dislocation cores
SIAM Journal on Mathematical Analysis | 2019-04-18 | Paper |
On assessing the accuracy of defect free energy computations
ESAIM: Mathematical Modelling and Numerical Analysis | 2019-01-25 | Paper |
Force-based atomistic/continuum blending for multilattices
Numerische Mathematik | 2018-10-31 | Paper |
Regularity and locality of point defects in multilattices
Applied Mathematics Research eXpress | 2018-09-26 | Paper |
Thermodynamic limit of crystal defects with finite temperature tight binding
Archive for Rational Mechanics and Analysis | 2018-09-21 | Paper |
Energy-based atomistic-to-continuum coupling without ghost forces
Computer Methods in Applied Mechanics and Engineering | 2018-08-28 | Paper |
Incommensurate Heterostructures in Momentum Space
Multiscale Modeling & Simulation | 2018-05-29 | Paper |
Analysis of patch-test consistent atomistic-to-continuum coupling with higher-order finite elements
ESAIM: Mathematical Modelling and Numerical Analysis | 2018-02-02 | Paper |
Convergence and cycling in Walker-type saddle search algorithms
SIAM Journal on Numerical Analysis | 2017-09-25 | Paper |
Coupling Atomistic, Elasticity and Boundary Element Models
| 2017-09-15 | Paper |
QM/MM methods for crystalline defects. II: Consistent energy and force-mixing
Multiscale Modeling & Simulation | 2017-05-30 | Paper |
Electronic density of states for incommensurate layers
Multiscale Modeling & Simulation | 2017-05-30 | Paper |
Analysis of a predictor-corrector method for computationally efficient modeling of surface effects in 1D
Multiscale Modeling & Simulation | 2017-05-30 | Paper |
Locality of the Thomas-Fermi-von Weizsäcker equations
Archive for Rational Mechanics and Analysis | 2017-05-02 | Paper |
Analysis of boundary conditions for crystal defect atomistic simulations
Archive for Rational Mechanics and Analysis | 2016-11-04 | Paper |
Analysis of blended atomistic/continuum hybrid methods
Numerische Mathematik | 2016-09-22 | Paper |
QM/MM methods for crystalline defects. I: Locality of the tight binding model
Multiscale Modeling \& Simulation | 2016-05-18 | Paper |
Atomistic/continuum blending with ghost force correction
SIAM Journal on Scientific Computing | 2016-03-02 | Paper |
Analysis of stable screw dislocation configurations in an antiplane lattice model
SIAM Journal on Mathematical Analysis | 2015-07-21 | Paper |
(In-)stability and stabilization of QNL-type atomistic-to-continuum coupling methods
Multiscale Modeling & Simulation | 2015-05-21 | Paper |
Formulation and optimization of the energy-based blended quasicontinuum method
Computer Methods in Applied Mechanics and Engineering | 2014-10-24 | Paper |
Theory-based benchmarking of the blended force-based quasicontinuum method
Computer Methods in Applied Mechanics and Engineering | 2014-09-16 | Paper |
Existence and stability of a screw dislocation under anti-plane deformation
Archive for Rational Mechanics and Analysis | 2014-08-15 | Paper |
A posteriori error control for a quasi-continuum approximation of a periodic chain
IMA Journal of Numerical Analysis | 2014-08-06 | Paper |
An approach to nonlinear viscoelasticity via metric gradient flows
SIAM Journal on Mathematical Analysis | 2014-07-31 | Paper |
Atomistic-to-continuum coupling
Acta Numerica | 2014-06-11 | Paper |
Symmetries of 2-lattices and second order accuracy of the Cauchy-Born model
Multiscale Modeling & Simulation | 2014-05-21 | Paper |
Analysis of a Class of Penalty Methods for Computing Singular Minimizers
Computational Methods in Applied Mathematics | 2014-03-26 | Paper |
On the stability of bravais lattices and their Cauchy-Born approximations
European Series in Applied and Industrial Mathematics (ESAIM): Mathematical Modelling and Numerical Analysis | 2013-08-14 | Paper |
Analysis of an energy-based atomistic/continuum approximation of a vacancy in the 2D triangular lattice
Mathematics of Computation | 2013-08-06 | Paper |
The role of the patch test in 2D atomistic-to-continuum coupling methods
European Series in Applied and Industrial Mathematics (ESAIM): Mathematical Modelling and Numerical Analysis | 2013-07-10 | Paper |
An analysis of the boundary layer in the 1D surface Cauchy-Born model
European Series in Applied and Industrial Mathematics (ESAIM): Mathematical Modelling and Numerical Analysis | 2013-07-03 | Paper |
Atomistic-to-continuum coupling approximation of a one-dimensional toy model for density functional theory
Multiscale Modeling & Simulation | 2013-06-27 | Paper |
AN ADAPTIVE FINITE ELEMENT APPROXIMATION OF A GENERALIZED AMBROSIO–TORTORELLI FUNCTIONAL
M\(^3\)AS. Mathematical Models \& Methods in Applied Sciences | 2013-06-24 | Paper |
Justification of the Cauchy-Born approximation of elastodynamics
Archive for Rational Mechanics and Analysis | 2013-03-27 | Paper |
Construction and sharp consistency estimates for atomistic/continuum coupling methods with general interfaces: a two-dimensional model problem
SIAM Journal on Numerical Analysis | 2013-03-04 | Paper |
The spectrum of the force-based quasicontinuum operator for a homogeneous periodic chain
Multiscale Modeling & Simulation | 2013-01-24 | Paper |
Positive definiteness of the blended force-based quasicontinuum method
Multiscale Modeling & Simulation | 2013-01-24 | Paper |
A computational and theoretical investigation of the accuracy of quasicontinuum methods
Lecture Notes in Computational Science and Engineering | 2012-08-21 | Paper |
Linear stationary iterative methods for the force-based quasicontinuum approximation
Numerical Analysis of Multiscale Computations | 2012-07-10 | Paper |
A priori error estimates for energy-based quasicontinuum approximations of a periodic chain
M\(^3\)AS. Mathematical Models \& Methods in Applied Sciences | 2012-06-18 | Paper |
Interpolants of Lattice Functions for the Analysis of Atomistic/Continuum Multiscale Methods
| 2012-04-17 | Paper |
Nonlinear Elasticity from Atomistic Mechanics
| 2012-02-17 | Paper |
A Note on Linear Elliptic Systems on $\R^d$
| 2012-02-17 | Paper |
Iterative methods for the force-based quasicontinuum approximation: analysis of a 1D model problem
Computer Methods in Applied Mechanics and Engineering | 2012-02-01 | Paper |
A priori error analysis of two force-based atomistic/continuum models of a periodic chain
Numerische Mathematik | 2011-09-20 | Paper |
Robust A Priori and A Posteriori Error Analysis for the Approximation of Allen–Cahn and Ginzburg–Landau Equations Past Topological Changes
SIAM Journal on Numerical Analysis | 2011-09-14 | Paper |
On the Convergence of Adaptive Nonconforming Finite Element Methods for a Class of Convex Variational Problems
SIAM Journal on Numerical Analysis | 2011-09-14 | Paper |
Nonconforming finite-element discretization of convex variational problems
IMA Journal of Numerical Analysis | 2011-08-19 | Paper |
A priori error estimates for optimal control problems with pointwise constraints on the gradient of the state
Numerische Mathematik | 2011-08-16 | Paper |
A priori and a posteriori analysis of the quasinonlocal quasicontinuum method in 1D
Mathematics of Computation | 2011-07-08 | Paper |
An adaptive finite element approximation of a variational model of brittle fracture
SIAM Journal on Numerical Analysis | 2011-04-11 | Paper |
Adaptive Finite Element Approximation of the Francfort–Marigo Model of Brittle Fracture
Approximation and Computation | 2011-03-30 | Paper |
Existence and convergence results for the Galerkin approximation of an electronic density functional
M\(^3\)AS. Mathematical Models \& Methods in Applied Sciences | 2011-02-02 | Paper |
Accuracy of quasicontinuum approximations near instabilities
Journal of the Mechanics and Physics of Solids | 2010-11-05 | Paper |
Sharp stability estimates for the force-based quasicontinuum approximation of homogeneous tensile deformation
Multiscale Modeling \& Simulation | 2010-09-22 | Paper |
Convergence of simple adaptive Galerkin schemes based on \(h - h/2\) error estimators
Numerische Mathematik | 2010-09-10 | Paper |
Stability, instability, and error of the force-based quasicontinuum approximation
Archive for Rational Mechanics and Analysis | 2010-09-10 | Paper |
Existence of solutions to a regularized model of dynamic fracture
M\(^3\)AS. Mathematical Models \& Methods in Applied Sciences | 2010-09-08 | Paper |
An analysis of node-based cluster summation rules in the quasicontinuum method
SIAM Journal on Numerical Analysis | 2010-08-30 | Paper |
A posteriori existence in numerical computations
SIAM Journal on Numerical Analysis | 2010-08-30 | Paper |
Compact embeddings of broken Sobolev spaces and applications
IMA Journal of Numerical Analysis | 2009-12-04 | Paper |
QUASI-STATIC CRACK PROPAGATION BY GRIFFITH'S CRITERION
M\(^3\)AS. Mathematical Models \& Methods in Applied Sciences | 2009-01-28 | Paper |
Discontinuous Galerkin Finite Element Approximation of Nonlinear Second-Order Elliptic and Hyperbolic Systems
SIAM Journal on Numerical Analysis | 2008-08-14 | Paper |
Analysis of a quasicontinuum method in one dimension
ESAIM: Mathematical Modelling and Numerical Analysis | 2008-03-06 | Paper |
Gradient Flows as a Selection Procedure for Equilibria of Nonconvex Energies
SIAM Journal on Mathematical Analysis | 2007-07-31 | Paper |
Higher-order Far-field Boundary Conditions for Crystalline Defects
| N/A | Paper |
Atomic Cluster Expansion without Self-Interaction
| N/A | Paper |
