p7cond-mat.mtrl-sci

Category

cond-mat.mtrl-sci

9 papers

A Fourth-Generation High-Dimensional Neural Network Potential with Accurate Electrostatics Including Non-local Charge Transfer

Tsz Wai Ko, Jonas A. Finkler, Stefan Goedecker, Jörg Behler

2009.06484

Universality of jamming of non-spherical particles

Carolina Brito, Harukuni Ikeda, Pierfrancesco Urbani, Matthieu Wyart, Francesco Zamponi

1807.01975

On the Completeness of Atomic Structure Representations

Sergey N. Pozdnyakov, Michael J. Willatt, Albert P. Bartók, Christoph Ortner, Gábor Csányi, Michele Ceriotti

2001.11696

Global Optimization of Copper Clusters at the ZnO(10-10) Surface Using a DFT-based Neural Network Potential and Genetic Algorithms

Martín Leandro Paleico, Jörg Behler

2007.06459

Prospects for measurement-based quantum computing with solid state spins

Simon C. Benjamin, Brendon W. Lovett, Jason M. Smith

0901.3092

Bayesian Optimization for Materials Design with Mixed Quantitative and Qualitative Variables

Yichi Zhang, Daniel Apley, Wei Chen

1910.01688

Advanced capabilities for materials modelling with Quantum ESPRESSO

P. Giannozzi, O. Andreussi, T. Brumme, O. Bunau, M. Buongiorno Nardelli, M. Calandra, R. Car, C. Cavazzoni, D. Ceresoli, M. Cococcioni, N. Colonna, I. Carnimeo, A. Dal Corso, S. de Gironcoli, P. Delugas, R. A. DiStasio, A. Ferretti, A. Floris, G. Fratesi, G. Fugallo, R. Gebauer, U. Gerstmann, F. Giustino, T. Gorni, J. Jia, M. Kawamura, H. -Y. Ko, A. Kokalj, E. Küçükbenli, M. Lazzeri, M. Marsili, N. Marzari, F. Mauri, N. L. Nguyen, H. -V. Nguyen, A. Otero-de-la-Roza, L. Paulatto, S. Poncé, D. Rocca, R. Sabatini, B. Santra, M. Schlipf, A. P. Seitsonen, A. Smogunov, I. Timrov, T. Thonhauser, P. Umari, N. Vast, X. Wu, S. Baroni

1709.10010

Designing nanostructures for interfacial phonon transport via Bayesian optimization

Shenghong Ju, Takuma Shiga, Lei Feng, Zhufeng Hou, Koji Tsuda, Junichiro Shiomi

1609.04972

Weak itinerant ferromagnetism in Heusler type Fe2VAl0.95

K. Sato, T. Naka, M. Taguchi, T. Nakane, F. Ishikawa, Yuh Yamada, Y. Takaesu, T. Nakama, A. de Visser, A. Matsushita

1011.5704