Crystal structure predictions you can TRHu(ST).
Elements of modern industry-grade crystal structure prediction.
Application-driven development of predictive workflows: commercial opportunities and career scope.
Combining crystal structure prediction and high-throughput powder pattern refinement for organic solid form selection.
Transitioning toward robust industry-grade predictive workflows for thermal management applications.
Planning a career in computational materials science: Research scope and commercial opportunities.
Planning a career in computational materials science.
Ultrafast three-dimensional x-ray imaging of strain dynamics in pulse-heated nanocrystals.
Bridging the electronic, atomistic and mesoscopic scales using machine learned models.
Modeling, analysis and ultrafast imaging of lattice dynamics in core-shell bimetallic nanocrystals.
Integrated imaging and multiscale simulation to investigate lattice deformations in externally stimulated nanocrystals.
Integrated imaging and multiscale simulation to investigate lattice deformations in externally stimulated nanocrystals.
Integrated imaging and multiscale simulation to investigate lattice deformations in externally stimulated nanocrystals.
Development of empirical charge transfer interatomic potential to simulate switching processes in HfO2-based memristive devices.
Integrated imaging and simulation to investigate lattice deformations in externally stimulated nanocrystals.
Ultra-fast coherent x-ray diffraction of deformation modes in zinc oxide nanocrystals.
Machine learning in materials science: Integrating imaging and multiscale simulation for nanoscale characterization.
Development of empirical charge transfer interatomic potential for tantalum oxide nanostructures from first principle calculations.
Development of empirical charge transfer interatomic potential for tantalum oxide nanostructures from first principle calculations.
Integrating ultrafast coherent diffractive imaging and atomistic simulations to investigate externally stimulated metallic nanocrystals.
Modeling, analysis and ultrafast imaging of lattice dynamics in core-shell bimetallic nanocrystals.
Lattice dynamics of core-shell bimetallic nanocrystals during ultrafast laser excitation.
Investigation of lattice displacement dynamics and nanocatalytic activity of gold.
Experiment directed large-scale atomistic simulations to investigate lattice deformations in externally stimulated metallic nanocrystals.
Investigation of lattice displacement dynamics and nanocatalytic activity of gold.
Integrated 2D-3D architectures for efficient thermal management.
Integrated imaging and simulation to investigate lattice deformations in externally stimulated systems.
Lattice dynamics of core-shell bimetallic nanocrystals during ultrafast laser excitation.
Integrated imaging and simulation to probe the nanocatalytic activity of gold.
Investigation of lattice displacement dynamics and nanocatalytic activity of gold.
Investigation of lattice displacement dynamics and nanocatalytic activity of gold.
Complementing ultrafast imaging experiments with insights from atomistic simulations.
Material properties and interaction at nanoscale interfaces via atomistic simulations.
Nanoscale cavitation dynamics: A molecular dynamics investigation.
Investigation of heat transfer and phase change phenomena near nanoscale interfaces via non- equilibrium molecular dynamics techniques.
Phase stability of a liquid surrounding intensely heated nanoparticles: Molecular dynamics simulations and thermodynamic analysis.
Phase field model for the curvature induced phase stability of an intensely heated liquid.
Curvature induced phase stability of an intensely heated Lennard-Jones liquid: A molecular dynamics approach.
Effect of chain conformation in the phonon transport across a Si-polyethylene single-molecule covalent junction.
Nanoscale heat transfer surrounding intensely heated nanoparticles.
Effect of chain conformation in the phonon transport across a Si-polyethylene single-molecule covalent junction.
Phonon transport across a single-molecule covalent junction.