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Related publications (12)

Encoding quantum-chemical knowledge into machine-learning models of complex molecular properties

Statistical (machine-learning, ML) models are more and more often used in computational chemistry as a substitute to more expensive ab initio and parametrizable methods. While the ML algorithms are capable of learning physical laws implicitly from data, ad ...

EPFL2024

Alignment of ND3 molecules in dc-electric fields

Andreas Osterwalder, Viet Le Duc, Junwen Zou

The control of movement and orientation of gas-phase molecules has become the focus of many research areas in molecular physics. Here, ND3 molecules are polarized in a segmented, curved electrostatic guide and adiabatically aligned inside a rotatable mass ...

Aip Publishing2024

Observation of a New Excited Beauty Strange Baryon Decaying to Xi(-)(b)pi(+)pi(-)

Jian Wang, Matthias Finger, Qian Wang, Yiming Li, Matthias Wolf, Varun Sharma, Yi Zhang, Konstantin Androsov, Jan Steggemann, Leonardo Cristella, Xin Chen, Davide Di Croce, Arvind Shah, Rakesh Chawla, Marco Pisano, Chao Wang, João Miguel das Neves Duarte, Tagir Aushev, Tian Cheng, Yixing Chen, Werner Lustermann, Andromachi Tsirou, Alexis Kalogeropoulos, Andrea Rizzi, Ioannis Papadopoulos, Paolo Ronchese, Hua Zhang, Siyuan Wang, Jessica Prisciandaro, Peter Hansen, Tao Huang, David Vannerom, Michele Bianco, Sebastiana Gianì, Kun Shi, Wei Shi, Guido Andreassi, Abhisek Datta, Wei Sun, Jian Zhao, Thomas Berger, Federica Legger, Doohyun Kim, Bandeep Singh, Mithlesh Kumar, Ji Hyun Kim, Donghyun Kim, Dipanwita Dutta, Zheng Wang, Sanjeev Kumar, Wei Li, Yong Yang, Yi Wang, Ajay Kumar, Ashish Sharma, Georgios Anagnostou, Joao Varela, Csaba Hajdu, Muhammad Ahmad, Ekaterina Kuznetsova, Ioannis Evangelou, Matthias Weber, Muhammad Shoaib, Milos Dordevic, Vineet Kumar, Vladimir Petrov, Francesco Fiori, Meng Xiao, Sourav Sen, Viktor Khristenko, Xiao Wang, Kai Yi, Jing Li, Rajat Gupta, Muhammad Waqas, Hui Wang, Seungkyu Ha, Maren Tabea Meinhard, Giorgia Rauco, Pratyush Das, Miao Hu, Anton Petrov, Valérie Scheurer, Muhammad Ansar Iqbal, Lukas Layer

The Xi(-)(b)pi(+)pi(-) invariant mass spectrum is investigated with an event sample of proton-proton collisions at root s = 13 TeV, collected by the CMS experiment at the LHC in 2016-2018 and corresponding to an integrated luminosity of 140 fb(-1). The gro ...

2021

Synthetic spectra of BeH, BeD and BeT for emission modeling in JET plasmas

Olivier Sauter, Ambrogio Fasoli, Basil Duval, Stefano Coda, Jonathan Graves, Yves Martin, Duccio Testa, Patrick Blanchard, Alessandro Pau, Cristian Sommariva, Henri Weisen, Richard Pitts, Yann Camenen, Jan Horacek, Javier García Hernández, Marco Wischmeier, Nicola Vianello, Mikhail Maslov, Federico Nespoli, Yao Zhou, David Pfefferlé, Davide Galassi, Antonio José Pereira de Figueiredo, Jonathan Marc Philippe Faustin, Liang Yao, Dalziel Joseph Wilson, Hamish William Patten, Samuel Lanthaler, Bernhard Sieglin, Otto Asunta

A theoretical model for isotopologues of beryllium monohydride, BeH, BeD and BeT, A (2)Pi to X (2)Sigma(+) visible and X (2)Sigma(+) to X (2)Sigma(+) infrared rovibronic spectra is presented. The MARVEL procedure is used to compute empirical rovibronic ene ...

2018

Charge transport properties of spin-orbit coupled materials in different correlation regimes

Soudabeh Sheikholharam Mashhadi

From recent advances in solid state physics, a novel material classification scheme has evolved which is based on the concept of topology and provides an understanding of different phenomena ranging from quantum transport to unusual flavors of superconduct ...

EPFL2018

Soft-Sphere Continuum Solvation in Electronic-Structure Calculations

Nicola Marzari, Oliviero Andreussi

We present an implicit solvation approach where the interface-between the quantum-mechanical solute and the surrounding environment is, described by a fully continuous permittivity built up with atomic-centered "soft" spheres. This approach combines many o ...

Amer Chemical Soc2017

Coupled Electronic and Structural Relaxation Pathways in the Postexcitation Dynamics of Rydberg States of BaArN Clusters

We investigate, theoretically, the joint relaxation of orbital and structure in postexcitation dynamics of Rydberg states of cluster BaArN (N = 250). Mixed quantum-classical dynamics is used to account for the nonadiabatic transitions among more than 160 e ...

Amer Physical Soc2014

Theoretical investigation of the ultrafast dissociation of ionised biomolecules immersed in water: Direct and indirect effects

Ivano Tavernelli, Pablo Lopez Tarifa

Theoretical simulations are particularly well suited to investigate, at a molecular level, direct and indirect effects of ionising radiations in DNA, as in the particular case of irradiation by swift heavy ions such as those used in hadron therapy. In the ...

2010

Spectroscopic Studies on Semiconducting Interfaces with Giant Spin Splitting

Emmanouil Frantzeskakis

The application of an external magnetic field can lift the spin degeneracy of electronic states through its interaction with the electronic magnetic moment. A closely-related phenomenon is the Rashba-Bychkov (RB) effect where symmetry breaking at surfaces ...

EPFL2010

Dimer phases in quantum antiferromagnets with orbital degeneracy

Dmitri Ivanov

We study and solve the ground-state problem of a microscopic model for a family of orbitally degenerate quantum magnets. The orbital degrees of freedom are assumed to have a directional character and are represented by static Potts-like variables. In the l ...

2007

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