123 citations · 1.7k across the 69 of their papers we have counts for
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Interplay of spin-orbit and entropic effects in Cerium
Nicola Lanatà, Yong-Xin Yao, Cai-Zhuang Wang +2
We perform first-principle calculations of elemental cerium and compute its pressure-temperature phase diagram, finding good quantitative agreement with the experiments. Our calcul…
Crystalline 'Genes' in Metallic Liquids
Yang Sun, Feng Zhang, Zhuo Ye +7
The underlying structural order that transcends the liquid, glass and crystalline states is identified using an efficient genetic algorithm (GA). GA identifies the most common ener…
Energetics and Electronic Structure of Plutonium
Nicola Lanatà, Yong-Xin Yao, Cai-Zhuang Wang +2
Plutonium is the most exotic and mysterious element in the periodic table. It has 6 metallic phases and peculiar physical properties not yet understood. One of the most intriguing…
Electronic structure and energetics of praseodymium and -plutonium under pressure
Nicola Lanatà, Yongxin Yao, Cai-Zhuang Wang +2
We develop a new implementation of the Gutzwiller approximation (GA) and interface it with the local density approximation (LDA). This formulation enables us to study complex …