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Center for Integrated Nanotechnologies

Helping you understand, create, and characterize nanomaterials

Theory & Simulation Capabilities

PREDICTION & ANALYSIS

Computational Modeling of Nonlinear Optical Responses (e.g. Two-Photon Absorption, Second and Third Harmonic Generations) in Organic and Organo-Metallic Chromophores
Computational Modeling of Nonlinear Optical Responses (e.g. Two-Photon Absorption, Second and Third Harmonic Generations) in Organic and Organo-Metallic Chromophores

Computational Models for Complex Fluids, Polymer Melts, and Networks, and Nanoparticle Self-Assembly
Computational Models for Complex Fluids, Polymer Melts, and Networks, and Nanoparticle Self-Assembly

FDTD and MODE Simulations
FDTD and MODE Simulations

First-Principles Quantum Many-Body Theory to Strongly Correlated Electronic Systems
First-Principles Quantum Many-Body Theory to Strongly Correlated Electronic Systems

Large-Scale Atomic/Molecular Massively Parallel Simulator (LAMMPS)
Large-Scale Atomic/Molecular Massively Parallel Simulator (LAMMPS)

Large-Scale Molecular Dynamics Simulations of Biomolecules and Molecular Motors
Large-Scale Molecular Dynamics Simulations of Biomolecules and Molecular Motors

Local Electronic Structure and Bulk Properties in Inhomogeneous Superconductors (Including the presence of magnetic field)
Local Electronic Structure and Bulk Properties in Inhomogeneous Superconductors (Including the presence of magnetic field)

MEsoscale Multi-physics PHase fIeld Simulator (MEMPHIS)
MEsoscale Multi-physics PHase fIeld Simulator (MEMPHIS)

Nanomechanics Virtual Laboratory

Numerical Simulations and Modeling of Quantum Criticality and Local Electronic Structure in Strongly Correlated Electronic Systems
Numerical Simulations and Modeling of Quantum Criticality and Local Electronic Structure in Strongly Correlated Electronic Systems

Quantum-Chemical Simulation of Photoinduced Adiabatic and Non-Adiabatic Excited State Dynamics in Conducting Polymers and (Bio)Organic Chromophores
Quantum-Chemical Simulation of Photoinduced Adiabatic and Non-Adiabatic Excited State Dynamics in Conducting Polymers and (Bio)Organic Chromophores

Simulations Using Atomistic or Coarse-Grained Models for Studying Nanoparticles, Biomolecules, and Polymers
Simulations Using Atomistic or Coarse-Grained Models for Studying Nanoparticles, Biomolecules, and Polymers

Theory and Models of Multi-Particle Excitations and Energy/Charge Transport Phenomena in Semiconductor Nanocrystals and their Assemblies
Theory and Models of Multi-Particle Excitations and Energy/Charge Transport Phenomena in Semiconductor Nanocrystals and their Assemblies

Theory and Simulation of Complex Fluids Including Polymers, Polymer Nanocomposites, and Inhomogeneous Charged Fluids
Theory and Simulation of Complex Fluids Including Polymers, Polymer Nanocomposites, and Inhomogeneous Charged Fluids

Theory of Electrical and Thermal Transport Through Unconventional Junctions out of Equilibrium
Theory of Electrical and Thermal Transport Through Unconventional Junctions out of Equilibrium

Theory of Quantum Dynamics and Ultrafast Optical Probes of Correlated Systems

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