Works matching IS 25098012 AND DT 2022 AND VI 6 AND IP 1

Results: 19

Correction: Constant-depth circuits for dynamic simulations of materials on quantum computers.

Published in:

2022

By:

Bassman Oftelie, Lindsay;
Van Beeumen, Roel;
Younis, Ed;
Smith, Ethan;
Iancu, Costin;
de Jong, Wibe A.

Publication type:

Correction Notice

Numerical simulations of noisy quantum circuits for computational chemistry.

Published in:

Materials Theory, 2022, v. 6, n. 1, p. 1, doi. 10.1186/s41313-022-00047-7

By:

Wright, Jerimiah;
Gowrishankar, Meenambika;
Claudino, Daniel;
Lotshaw, Phillip C.;
Nguyen, Thien;
McCaskey, Alexander J.;
Humble, Travis S.

Publication type:

Article

Coupled Cluster Downfolding Theory: towards universal many-body algorithms for dimensionality reduction of composite quantum systems in chemistry and materials science.

Published in:

Materials Theory, 2022, v. 6, n. 1, p. 1, doi. 10.1186/s41313-022-00046-8

By:

Bauman, Nicholas P.;
Kowalski, Karol

Publication type:

Article

Characterization of dislocation ensembles: measures and complexity.

Published in:

2022

By:

Hochrainer, Thomas;
Laurson, Lasse;
Papanikolaou, Stefanos;
Po, Giacomo;
Sills, Ryan B.

Publication type:

Editorial

Portevin–Le Chatelier effect: modeling the deformation bands and stress-strain curves.

Published in:

Materials Theory, 2022, v. 6, n. 1, p. 1, doi. 10.1186/s41313-022-00044-w

By:

Mäkinen, Tero;
Ovaska, Markus;
Laurson, Lasse;
Alava, Mikko J.

Publication type:

Article

Constant-depth circuits for dynamic simulations of materials on quantum computers.

Published in:

Materials Theory, 2022, v. 6, n. 1, p. 1, doi. 10.1186/s41313-022-00043-x

By:

Bassman, Lindsay;
Van Beeumen, Roel;
Younis, Ed;
Smith, Ethan;
Iancu, Costin;
de Jong, Wibe A.

Publication type:

Article

Phase field assisted analysis of a solidification based metal refinement process.

Published in:

Materials Theory, 2022, v. 6, n. 1, p. 1, doi. 10.1186/s41313-022-00042-y

By:

Viardin, A.;
Böttger, B.;
Apel, M.

Publication type:

Article

Prospects of quantum computing for molecular sciences.

Published in:

Materials Theory, 2022, v. 6, n. 1, p. 1, doi. 10.1186/s41313-021-00039-z

By:

Liu, Hongbin;
Low, Guang Hao;
Steiger, Damian S.;
Häner, Thomas;
Reiher, Markus;
Troyer, Matthias

Publication type:

Article

Phase field simulations of FCC to BCC phase transformation in (Al)CrFeNi medium entropy alloys.

Published in:

Materials Theory, 2022, v. 6, n. 1, p. 1, doi. 10.1186/s41313-021-00034-4

By:

Zuo, X. J.;
Coutinho, Y.;
Chatterjee, S.;
Moelans, N.

Publication type:

Article

Theoretical basis for phase field modeling of polycrystalline grain growth using a spherical-Gaussian-based 5-D computational approach.

Published in:

Materials Theory, 2022, v. 6, n. 1, p. 1, doi. 10.1186/s41313-021-00035-3

By:

Yeo, Lenissongui C.;
Costa, Michael N.;
Bair, Jacob L.

Publication type:

Article

Making sense of dislocation correlations.

Published in:

Materials Theory, 2022, v. 6, n. 1, p. 1, doi. 10.1186/s41313-021-00040-6

By:

Hochrainer, Thomas;
Weger, Benedikt;
Gupta, Satyapriya

Publication type:

Article

Phase-field simulations of fission gas bubble growth and interconnection in U-(Pu)-Zr nuclear fuel.

Published in:

Materials Theory, 2022, v. 6, n. 1, p. 1, doi. 10.1186/s41313-021-00041-5

By:

Aagesen, Larry K.;
Casagranda, Albert;
Matthews, Christopher;
Beeler, Benjamin W.;
Novascone, Stephen

Publication type:

Article

Modeling mesoscale fission gas behavior in UO<sub>2</sub> by directly coupling the phase field method to spatially resolved cluster dynamics.

Published in:

Materials Theory, 2022, v. 6, n. 1, p. 1, doi. 10.1186/s41313-021-00030-8

By:

Kim, Dong-Uk;
Blondel, Sophie;
Bernholdt, David E.;
Roth, Philip;
Kong, Fande;
Andersson, David;
Tonks, Michael R.;
Wirth, Brian D.

Publication type:

Article

Assessment of four strain energy decomposition methods for phase field fracture models using quasi-static and dynamic benchmark cases.

Published in:

Materials Theory, 2022, v. 6, n. 1, p. 1, doi. 10.1186/s41313-021-00037-1

By:

Zhang, Shuaifang;
Jiang, Wen;
Tonks, Michael R.

Publication type:

Article

Machine learning-assisted high-throughput exploration of interface energy space in multi-phase-field model with CALPHAD potential.

Published in:

Materials Theory, 2022, v. 6, n. 1, p. 1, doi. 10.1186/s41313-021-00038-0

By:

Attari, Vahid;
Arroyave, Raymundo

Publication type:

Article

Pinning of dislocations in disordered alloys: effects of dislocation orientation.

Published in:

Materials Theory, 2022, v. 6, n. 1, p. 1, doi. 10.1186/s41313-021-00036-2

By:

Zaiser, Michael;
Wu, Ronghai

Publication type:

Article

Parallel-GPU-accelerated adaptive mesh refinement for three-dimensional phase-field simulation of dendritic growth during solidification of binary alloy.

Published in:

Materials Theory, 2022, v. 6, n. 1, p. 1, doi. 10.1186/s41313-021-00033-5

By:

Sakane, Shinji;
Takaki, Tomohiro;
Aoki, Takayuki

Publication type:

Article

VQE method: a short survey and recent developments.

Published in:

Materials Theory, 2022, v. 6, n. 1, p. 1, doi. 10.1186/s41313-021-00032-6

By:

Fedorov, Dmitry A.;
Peng, Bo;
Govind, Niranjan;
Alexeev, Yuri

Publication type:

Article

Sweep-tracing algorithm: in silico slip crystallography and tension-compression asymmetry in BCC metals.

Published in:

Materials Theory, 2022, v. 6, n. 1, p. 1, doi. 10.1186/s41313-021-00031-7

By:

Bertin, Nicolas;
Zepeda-Ruiz, L.A.;
Bulatov, V.V.

Publication type:

Article