Welcome to the MGHPCC Virtual Booth

Boston University

Revolutionizing Materials Design with Computational Modeling

Material scientists at BU use computers housed at the MGHPCC as they seek to understand and predict functional material properties using first-principles electronic structure methods.

The Sharifzadeh Group at Boston University uses computational modeling to understand and predict the electronic and optical properties of materials, with applications in energy conversion, electronics, and nanotechnology. The group specializes in first-principles quantum mechanical simulations, which allow for the exploration of complex materials at the atomic and electronic levels without relying on experimental data. These simulations provide critical insights into how materials behave under different conditions, enabling the design of new materials with tailored properties for specific applications.

A key focus of the Sharifzadeh Group’s research is the study of organic and inorganic semiconductors, which are crucial for developing next-generation solar cells, light-emitting diodes (LEDs), and transistors. The group uses advanced density functional theory (DFT) and many-body perturbation theory (MBPT) techniques to model how electrons interact in these materials, predicting their conductivity, exciton dynamics, and energy band structures.

The group also investigates two-dimensional (2D) materials, such as graphene and transition metal dichalcogenides, which hold promise for use in flexible electronics and energy storage. By simulating these materials' unique electronic and optical properties, the Sharifzadeh Group aims to uncover fundamental design principles that can guide experimental research and accelerate the development of new technologies for energy-efficient devices and materials.

Learn more
Sahar Sharifzadeh
Associate Professor, Boston University

PRINCIPAL MEMBERS

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Featured projects

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Adaptive Deep Learning Systems Towards Edge Intelligence
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Ask.CI
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Avoiding Smash Hits
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BU Research Computing Services
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Campus Champions
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Computational Modeling of Biological Systems
Computational Molecular Ecology
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ConnectCI
Cyber-Physical Communication Network Security
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Dancing Frog Genomes
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Deciphering Alzheimer's Disease
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Denser Environments Cultivate Larger Galaxies
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Detecting Protein Concentrations in Assays
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Developing Advanced Materials for a Sustainable Energy Future
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Dexterous Robotic Hands
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Discovering Evolution’s Master Switches
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Ecosystem for Research Networking (ERN)
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Electron Heating in Kinetic-Alfvén-Wave Turbulence
Energy Transport and Ultrafast Spectroscopy Lab
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Ephemeral Stream Water Contributions to US Drainage Networks
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Evaluating Health Benefits of Stricter US Air Quality Standards
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Evolution of Viral Infectious Disease
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Exact Gravitational Lensing by Rotating Black Holes
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Fuzzing the Linux Kernel
Genome Forecasting
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Global Consequences of Warming-Induced Arctic River Changes
Harvard FASRC
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Holyoke Codes: Broadening Participation in Computer Science Education
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IceCube: Hunting Neutrinos
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Impact of Marine Heatwaves on Coral Diversity
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Investigating Mantle Flow Through Analyses of Earthquake Wave Propagation
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Knowledge Base
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MIT Brain and Cognitive Sciences
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Modeling Hydrogels and Elastomers
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Monte Carlo eXtreme (MCX) - a Physically-Accurate Photon Simulator
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Research Computing Center
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OSN 2 - Deploying Storage
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QuEra at the MGHPCC
Remote Sensing of Earth Systems
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Revolutionizing Materials Design with Computational Modeling
SEQer - Sequence Evaluation in Realtime
Simulating Large Biomolecular Assemblies
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Surface Behavior
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The Mass Open Cloud Alliance (MOC Alliance)
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Yale Budget Lab
Research Computing Center
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