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, heterogeneous catalysis, electrocatalysis, sustainable energy, and machine learning. We develop and apply electronic structure theory, i.e., density functional theory and correlated wavefunction theory, to design
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methods such as Density Functional Theory (DFT) and Molecular Dynamics (MD), and, optionally, in X-ray scattering or diffraction.For more information and to apply, please submit a cover letter, CV and a
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in classical and quantum error correction, under the direction of Dr. Bane Vasic. More specifically, we are seeking candidates specializing in fault-tolerant error correction, quantum low-density
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challenges, from mitigating the impacts of natural hazards and sustaining our habitat amid global change to responsibly managing georesources. We are part of the Helmholtz Association, the largest German
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) and its TranSIESTA functionality. SIESTA is a multi-purpose first-principles method and program based on Density Functional Theory, which can describe the atomic and electronic properties of systems
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the group’s research and philosophy head over to www.d2r2group.com Qualifications Strong background in ab-initio calculations of materials (density functional theory) and high-performance computing
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Density Functional Theory (DFT) calculations. Application Process: Interested Candidates should contact Dr. Mausumi Mahapatra via email at mmahapatra1@luc.edu . Applicants are required to submit their CV
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challenges, from mitigating the impacts of natural hazards and sustaining our habitat amid global change to responsibly managing georesources. We are part of the Helmholtz Association, the largest German
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-learning trained using the van der Waals corrected hybrid density functional theory (DFT) enabled SeA approach [J. Chem. Theory Comput. 19, 4182 (2023)]. The SeA approach is an accurate and efficient high
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Postdoc (f/m/d): Machine Learning for Materials Modeling / Completed university studies (PhD) in ...
using first-principles simulations software (density functional theory and related codes) # Automated Workflows:Utilize automated workflows on high-performance computing systems for efficient data