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Inria, the French national research institute for the digital sciences | Palaiseau, le de France | France | 6 days ago
. These simulations are run on highly parallel supercomputers on which both the hardware and the software are optimized for the task at hand. While the computing power of each processing unit is still increasing, the
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objectives ii, iii, and iv and will therefore apply a large panel of excited-state methods (TD-DFT, ADC(n), CCn, CAS-PT2, etc.) both to define reference values and to benchmark lower-order methods. In more
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. The first task will be to define a TD-DFT protocol for obtaining accurate gabs and glum values for nearly-isolated (i.e. solvated in apolar media) intrinsically chiral dyes. In a first phase, the PhD student
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of data, services, interaction devices, and use cases influence the evolution of software and systems to guarantee the essential properties such as reliability, performance, autonomy, and adaptability