Publications related to Debate over the atomic bombings of Hiroshima and Nagasaki

Million-scale data integrated deep neural network for phonon properties of heuslers spanning the periodic table

Changpeng Lin, Hong Zhang, Chen Shen, Yong Zhao

Existing machine learning potentials for predicting phonon properties of crystals are typically limited on a material-to-material basis, primarily due to the exponential scaling of model complexity with the number of atomic species. We address this bottlen ...

NATURE PORTFOLIO2023

Exfoliated 2D Layered and Nonlayered Metal Phosphorous Trichalcogenides Nanosheets as Promising Electrocatalysts for CO2 Reduction

Michael Graetzel, Hong Zhang, Dan Ren, Yelin Hu, Yunfei Jiao, Bing Wu, Chen Shen, Fei Liang

Two-dimensional (2D) materials catalysts provide an atomic-scale view on a fascinating arena for understanding the mechanism of electrocatalytic carbon dioxide reduction (CO2 ECR). Here, we successfully exfoliated both layered and nonlayered ultra-thin met ...

WILEY-V C H VERLAG GMBH2023

HP - A code for the calculation of Hubbard parameters using density-functional perturbation theory

Nicola Marzari, Iurii Timrov, Matteo Cococcioni

We introduce HP, an implementation of density-functional perturbation theory, designed to compute Hubbard parameters (on-site U and inter-site V ) in the framework of DFT+U and DFT+U+V. The code does not require the use of computationally expensive superce ...

ELSEVIER2022

Multiple Surface Site Three-Dimensional Structure Determination of a Supported Molecular Catalyst

Moreno Lelli, Pierrick Berruyer, David Benjamin Roger Antoine Gajan, Zhuoran Wang

The structural characterization of supported molecular catalysts is challenging due to the low density of active sites and the presence of several organic/organometallic surface groups resulting from the often complex surface chemistry associated with supp ...

AMER CHEMICAL SOC2022

State selective cooling of SU(N) Fermi gases

Frédéric Mila, Miklos Lajko

We investigate a species selective cooling process of a trapped SU(N) Fermi gas using entropy redistribution during adiabatic loading of an optical lattice. Using high-temperature expansion of the Hubbard model, we show that when a subset N-A < N of the si ...

AMER PHYSICAL SOC2021

Highlights of the Science and Life of Peter Varga (1946-2018)

Wolf-Dieter Schneider

Peter Varga has passed on October 27, 2018. His pioneering discoveries of chemical resolution at the atomic scale on surface alloys, atomic resolution of ultrathin alkali halides, nucleation of bcc iron in ultrathin films, and the microscopic structure of ...

SURFACE SCI SOC JAPAN2020

Multiple dehydrogenation reactions of negative ions in low pressure silane plasma chemistry

Christoph Hollenstein, Alan Howling, Antoine Descoeudres

Micro-particle formation in low pressure silane (SiH4) plasmas has been of technical interest and concern for at least 40 years. Negative ion plasma chemistry is a candidate for the initial nucleation, which has been extensively studied both experimentally ...

2020

Incompleteness of Atomic Structure Representations

Michele Ceriotti, Sergey Pozdnyakov, Michael John Willatt

Many-body descriptors are widely used to represent atomic environments in the construction of machine-learned interatomic potentials and more broadly for fitting, classification, and embedding tasks on atomic structures. There is a widespread belief in the ...

AMER PHYSICAL SOC2020

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Debate over the atomic bombings of Hiroshima and Nagasaki

Million-scale data integrated deep neural network for phonon properties of heuslers spanning the periodic table

Exfoliated 2D Layered and Nonlayered Metal Phosphorous Trichalcogenides Nanosheets as Promising Electrocatalysts for CO2 Reduction

HP - A code for the calculation of Hubbard parameters using density-functional perturbation theory

Multiple Surface Site Three-Dimensional Structure Determination of a Supported Molecular Catalyst

State selective cooling of SU(N) Fermi gases

Atomic scale investigations of fracture in metal alloys

Highlights of the Science and Life of Peter Varga (1946-2018)

Multiple dehydrogenation reactions of negative ions in low pressure silane plasma chemistry

Incompleteness of Atomic Structure Representations

Atomic Scale Investigations into the Origins of Ductility in Mg Alloys

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Chat with Graph Search

Multiple Surface Site Three-Dimensional Structure Determination of a Supported Molecular Catalyst

Highlights of the Science and Life of Peter Varga (1946-2018)

Incompleteness of Atomic Structure Representations

State selective cooling of SU(N) Fermi gases

Million-scale data integrated deep neural network for phonon properties of heuslers spanning the periodic table

Atomic scale investigations of fracture in metal alloys

Exfoliated 2D Layered and Nonlayered Metal Phosphorous Trichalcogenides Nanosheets as Promising Electrocatalysts for CO2 Reduction

Atomic Scale Investigations into the Origins of Ductility in Mg Alloys

HP - A code for the calculation of Hubbard parameters using density-functional perturbation theory

Multiple dehydrogenation reactions of negative ions in low pressure silane plasma chemistry