Minerals Cloud
- 35 followers
- Columbia University, New York, NY, USA
- https://mineralscloud.github.io/
- @MineralsCloud
- mineralscloudcu@gmail.com
We are a research team atColumbia University in the City of New York.Our Principal Investigator isRenata M. Wentzcovitch.Our research is devoted to computational quantum mechanical studies of materials at extreme conditions, especiallyplanetary materials. We address electronic, structural, and vibrational properties from a fundamental and inter-relatedperspective.
Our current research interests include:
- Mineral physics with applications to geophysics (seismology and geodynamics) and geochemistry (water speciation andisotope fractionation in minerals)
- Materials discovery at (exo)planetary interior conditions
- H2O-ice physics
- Properties of strongly correlated oxides and their crystalline defects
- Spin crossover systems
- Simulations methods development
- Workshop on Computational Ab initio Quantum Thermodynamics (Nov. 28 -- Dec. 1, 2022)
- Bringing Research Excellence To Africa: Omololu Akin-Ojo
- Materials Simulations in Earth and Planetary Sciences Seminars
- International Workshop on Recent Developments in Electronic Structure Methods (ES22)
- 2022 US-Africa Initiative in Electronic Structure Workshop
| - Express.jlv0.9.2 (Source Code, released 2 years ago) | - QuantumESPRESSOExpress.jlv0.5.9 (Source Code, released 2 years ago) |
| - QuantumESPRESSOBase.jlv0.12.1 (Source Code, released 2 years ago) | - EquationsOfStateOfSolids.jlv0.4.2 (Source Code, released 3 years ago) |
| - qhav1.1.0 (Source Code, released 2 days ago) | - cij1.0.1 (Source Code, released 2 years ago) |
| - phqv1.0.0 (Source Code, released 2 years ago) | - SimpleWorkflows.jlv0.29.0 (Source Code, released 2 years ago) |
| - CrystallographyBase.jlv0.14.3 (Source Code, released 2 years ago) | - EasyJobs.jlv0.10.0 (Source Code, released 2 years ago) |
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- Express.jl
Express.jl PublicExpress: a high-level, extensible workflow framework for accelerating ab initio calculations for the materials science community
Repositories
- .github Public
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MineralsCloud/.github’s past year of commit activity - qha Public
A Python package for calculating thermodynamic properties under quasi-harmonic approximation, using data from ab-initio calculations
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MineralsCloud/SimpleWorkflows.jl’s past year of commit activity - QuantumESPRESSOBase.jl Public
Provides basic data structures and helpful functions for manipulating structures, generating input files, pre-running error checks, etc.
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MineralsCloud/QuantumESPRESSOBase.jl’s past year of commit activity - CrystallographyBase.jl Public
This package contains some basic functionalities of Crystallography.jl
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MineralsCloud/CrystallographyBase.jl’s past year of commit activity - Express.jl Public
Express: a high-level, extensible workflow framework for accelerating ab initio calculations for the materials science community
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MineralsCloud/Express.jl’s past year of commit activity - QuantumESPRESSOExpress.jl Public
A plugin of Express.jl for handling the ab initio software Quantum ESPRESSO
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MineralsCloud/QuantumESPRESSOExpress.jl’s past year of commit activity - SimpleWorkflowRecipes.jl Public
MineralsCloud/SimpleWorkflowRecipes.jl’s past year of commit activity - MillerIndices.jl Public
A notation system in crystallography for lattice planes in crystal (Bravais) lattices
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MineralsCloud/MillerIndices.jl’s past year of commit activity