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density functional theory calculations in solids (i.e. use of codes such as Quantum Espresso and/or VASP), to work on correlated electron quantum materials. This will include performing calculations and
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include density functional theory (DFT) and higher level methods to accurately screen new systems based on their optoelectronic and vibrational properties. The role holder will develop and apply
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include density functional theory (DFT) and higher level methods to accurately screen new systems based on their optoelectronic and vibrational properties. The role holder will develop and apply
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) Demonstrated proficiency in quantum chemistry, density functional theory, spectroscopy An outstanding publication record in peer-reviewed journals Interpersonal skills required to supervise junior members
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computational simulations in the area of density functional theory (DFT). The role will focus on understanding and predicting the properties of novel functional materials, including surfaces and interfaces
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experience. Strong coding skills in commonly used scientific languages (e.g. Python, Matlab, shell script, C) Demonstrated experience in performing simulations at the atomic-scale, including density functional