| Soft {Vibrational} {Modes} {Predict} {Breaking} {Events} during {Force}-{Induced} {Protein} {Unfolding} |
2018 |
| Dewetting during Terahertz Vibrations of Nanoparticles |
2018 |
| Nonlinear Mechanics of Triblock Copolymer Elastomers: From Molecular Simulations to Network Models |
2017 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 |
| 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 {Coarse‐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 |
| 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 |
| 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 |
| Atomistic mechanism of physical ageing in glassy materials |
2009 |
| 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 |
| Deformation, yield and ageing in glassy solids |
2008 |
| Local Monte Carlo for electrostatics in anisotropic and nonperiodic geometries |
2008 |
| 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 |
| Kinetic Monte Carlo study of radiation-induced segregation in model metallic alloys |
2007 |
| Local electrostatics algorithm for classical molecular dynamics simulations |
2007 |
| 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 |
| Auxiliary field simulation and Coulomb's law |
2005 |
| 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 |
| Strongly non-Arrhenius self-interstitial diffusion in vanadium |
2004 |
| Craze formation and the fracture energy of glassy polymers |
2004 |
| 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 |
| 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 |