Title Year of Publication
Dewetting during Terahertz Vibrations of Nanoparticles 2018
Soft {Vibrational} {Modes} {Predict} {Breaking} {Events} during {Force}-{Induced} {Protein} {Unfolding} 2018
Role of the {Intercrystalline} {Tie} {Chains} {Network} in the {Mechanical} {Response} of {Semicrystalline} {Polymers} 2017
The unfolding mechanism of monomeric mutant SOD1 by simulated force spectroscopy 2017
Nonlinear Mechanics of Triblock Copolymer Elastomers: From Molecular Simulations to Network Models 2017
Effects of {Inertia} on the {Steady}-{Shear} {Rheology} of {Disordered} {Solids} 2016
A {QM}/{MM} approach for low-symmetry defects in metals 2016
Threshold for {Terahertz} {Resonance} of {Nanoparticles} in {Water} 2016
Molecular dynamics simulations of monodisperse/bidisperse polymer melt crystallization 2016
Plastic response and correlations in athermally sheared amorphous solids 2016
Relaxation times in deformed polymer glasses: {A} comparison between molecular simulations and two theories 2016
As {Simple} {As} {Possible}, but {Not} {Simpler}: {Exploring} the {Fidelity} of {Coarse}-{Grained} {Protein} {Models} for {Simulated} {Force} {Spectroscopy} 2016
Plastic Deformation Mechanisms of Semicrystalline and Amorphous Polymers 2015
Identifying {Structural} {Flow} {Defects} in {Disordered} {Solids} {Using} {Machine}-{Learning} {Methods} 2015
Correlation of structure and mechanical response in solid-like polymers 2015
Solute segregation kinetics and dislocation depinning in a binary alloy 2015
Atomistic study of diffusion-mediated plasticity and creep using phase field crystal methods 2015
Correlation between rearrangements and soft modes in polymer glasses during deformation and recovery 2015
Molecular {Mechanisms} of {Plastic} {Deformation} in {Sphere}-{Forming} {Thermoplastic} {Elastomers} 2015
Multiscale Modeling of Phase Transformations in Steels 2014
Structural relaxation in glassy polymers predicted by soft modes: A quantitative analysis 2014
Atomistic simulations of the interaction of alloying elements with grain boundaries in Mg 2014
Solute-defect interactions in Al-Mg alloys from diffusive variational Gaussian calculations 2014
Predicting plasticity with soft vibrational modes: From dislocations to glasses 2014
Time-dependent elastic response to a local shear transformation in amorphous solids 2014
Using Soft Potentials for the Simulation of Block Copolymer Morphologies 2014
Spatiotemporal correlations between plastic events in the shear flow of athermal amorphous solids 2014
Phase field crystal modeling as a unified atomistic approach to defect dynamics 2014
Understanding Plastic Deformation in Thermal Glasses from Single-Soft-Spot Dynamics 2014
Distribution of local relaxation events in an aging three-dimensional glass: Spatiotemporal correlation and dynamical heterogeneity 2013
Quench, Equilibration, and Subaging in Structural Glasses 2013
Solvation effects on like-charge attraction 2013
Myosin filaments in smooth muscle cells do not have a constant length 2013
Modelling Atomic Scale Structure and Dynamics at Interfaces on Diffusive Timescales 2013
Morphology of monolayer films on quasicrystalline surfaces from the phase field crystal model 2012
Recovery of Polymer Glasses from Mechanical Perturbation 2012
Ab initio calculations of rare-earth diffusion in magnesium 2012
Defect stability in phase-field crystal models: Stacking faults and partial dislocations 2012
Long-ranged electrostatics from local algorithms 2011
Predictors of Cavitation in Glassy Polymers under Tensile Strain: A {Coarseā€Grained} Molecular Dynamics Investigation 2011
Phase-field-crystal methodology for modeling of structural transformations 2011
Modeling structural transformations in binary alloys with phase field crystals 2011
From macroscopic yield criteria to atomic stresses in polymer glasses 2010
Free Energy Functionals for Efficient Phase Field Crystal Modeling of Structural Phase Transformations 2010
Microscopic View of Accelerated Dynamics in Deformed Polymer Glasses 2010
Deformation-induced accelerated dynamics in polymer glasses 2010
Aging under stress in polymer glasses 2010
A systematically coarse-grained model for {DNA} and its predictions for persistence length, stacking, twist, and chirality 2010
Numerical studies of nonlocal electrostatic effects on the sub-nanoscale 2009
Physical aging and structural relaxation in polymer nanocomposites 2009
Fracture in glassy polymers: a molecular modeling perspective 2009
Faceting at the step flow threshold in epitaxial growth on patterned surfaces 2009
Atomistic mechanism of physical ageing in glassy materials 2009
Modification of the ageing dynamics of glassy polymers due to a temperature step 2008
Mechanical rejuvenation and overaging in the soft glassy rheology model 2008
Chapter 2 Electrostatics in Biomolecular Simulations: Where Are We Now and Where Are We Heading? 2008
Aging in the shear-transformation-zone theory of plastic deformation 2008
Deformation, yield and ageing in glassy solids 2008
Local Monte Carlo for electrostatics in anisotropic and nonperiodic geometries 2008
Mechanism of {Shear-Induced} Alignment in Bilayer Thin Films of Spherical Particles 2007
Simulations of aging and plastic deformation in polymer glasses 2007
Mechanism of Shear-Induced Alignment in Bilayer Thin Films of Spherical Particles 2007
Kinetic Monte Carlo study of radiation-induced segregation in model metallic alloys 2007
Local electrostatics algorithm for classical molecular dynamics simulations 2007
Macroscopic friction laws and shear yielding of glassy solids 2005
Self-interstitial transport in vanadium 2005
Shear Ordering in Thin Films of Spherical Block Copolymer 2005
Point defect dynamics in bcc metals 2005
Unified Description of Aging and Rate Effects in Yield of Glassy Solids 2005
Auxiliary field simulation and Coulomb's law 2005
Local Molecular Dynamics with Coulombic Interactions 2004
Strongly {non-Arrhenius} self-interstitial diffusion in vanadium 2004
A continuum, {O(N)} Monte Carlo algorithm for charged particles 2004
Strongly non-Arrhenius self-interstitial diffusion in vanadium 2004
Craze formation and the fracture energy of glassy polymers 2004
Molecular simulations of deformation and failure in bonds formed by glassy polymer adhesives 2003
Shear yielding of amorphous glassy solids: Effect of temperature and strain rate 2003
Growth, microstructure, and failure of crazes in glassy polymers 2003
Cracks and Crazes: On Calculating the Macroscopic Fracture Energy of Glassy Polymers from Molecular Simulations 2002
Jamming under Tension in Polymer Crazes 2002
Approaching the low-temperature limit in nucleation and two-dimensional growth of fcc (100) metal films {Ag/Ag(100)} 2002
Nucleation on top of islands in epitaxial growth 2000
Second Layer Nucleation in Thin Film Growth 1999
Fast-ion-induced surface tracks in bioorganic films 1998
Interaction of {MeV} atomic ions with molecular solids: ion track structure and sputtering phenomena 1997
Ab initio modelling of solute segregation energies to a general grain boundary 2017
A continuum, O(N) Monte Carlo algorithm for charged particles 2004