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the successful software package VASP (Vienna ab-initio Simulation Package). We focus on the development of methods to solve the many-electron Schrödinger equation for fermions and bosons with high accuracy and on
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software package VASP (Vienna ab-initio Simulation Package). We focus on the development of methods to solve the many-electron Schrödinger equation for fermions and bosons with high accuracy and on
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machine learning (ML) approaches offer a powerful framework for modeling complex catalytic materials with near ab initio accuracy while enabling simulations at significantly larger spatial and temporal
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Offer Description Development of atomistic ab-initio simulations and machine learning models for the study of phonon transport, phase transitions, and structural optimization of phase change materials
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Chemistry position is available for Chemical Research to work in a project on the development of new ab initio electronic structure methods led by Dr. Ramon Alain Miranda Quintana in the Department
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providing reference spectroscopic line-shape data based on experimentally validated ab initio quantum scattering calculations. We will fully utilize capabilities to populate spectroscopic databases and
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electromagnetic phenomena, using languages such as C++ and Python Collaborate with senior researchers to formulate new theories pertaining to EUV generation, obtained ab initio from Maxwell’s equations and quantum
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Sorbonne Université SIS (Sciences, Ingénierie, Santé) | Paris 15, le de France | France | about 2 months ago
). This activity will be supported by ab initio calculations using density functional theory or many-body Green-function methods that take into account electronic correlations (coll. M. Helgren, B. Lenz and M
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of advanced ab-initio computational methods for modeling electronic and magnetic properties of low-dimensional systems; - documented organizational activities (supervision of students and PhD candidates
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-electron microscopy workflows, as well as apply ab initio calculations (in close cooperation with other members of the E-MOSAIC project team) to support the detailed interpretation of spectroscopical data