Prediction of crystal structures from crystal chemistry rules by simulated annealing
about
Closed-loop control of cellular functions using combinatory drugs guided by a stochastic search algorithm.Crystal structure prediction from first principles.Compressed carbon nanotubes: a family of new multifunctional carbon allotropes.Perspective: crystal structure prediction at high pressures.Integrative systems control approach for reactivating Kaposi's sarcoma-associated herpesvirus (KSHV) with combinatory drugs.Investigation of novel crystal structures of Bi-Sb binaries predicted using the minima hopping method.Crystal structure prediction of LiBeH3 using ab initio total-energy calculations and evolutionary simulations.Ab initio and empirical energy landscapes of (MgF2)n clusters (n = 3, 4).Stable Crystalline Forms of Na Polysulfides: Experiment versus Ab Initio Computational Prediction.Engineering microporous architectures: combining evolutionary algorithms with predefined exclusion zones.First-principles structural design of superhard materials.Crystal-structure prediction via the floppy-box Monte Carlo algorithm: method and application to hard (non)convex particles.Global minimum structure search in Li(x)CoO2 composition using a hybrid evolutionary algorithm.Constrained evolutionary algorithm for structure prediction of molecular crystals: methodology and applications.Boosting theoretical zeolitic framework generation for the determination of new materials structures using GPU programming.Crystal structure prediction using the minima hopping method.Efficient method for predicting crystal structures at finite temperature: variable box shape simulations.Comparison of empirical bond-valence and first-principles energy calculations for a complex structural instabilityGraph Theory MeetsAb InitioMolecular Dynamics: Atomic Structures and Transformations at the Nanoscale
P2860
Q34763799-09C34AD9-23F9-4495-949B-885550C6F4B4Q34887717-0C993999-2C83-4805-95FA-4AE553E415FAQ36632682-010BFAE9-E919-46A0-9657-4B24EE99BE1DQ39041205-B1CE993D-7D2F-4C94-AA3E-902874FA160BQ39784255-F1551194-57C0-4056-BAEF-6156CA009683Q45044691-79172FB0-73C7-42C3-BCEB-90459C5F2DE8Q46186442-BA5E39A8-96FA-4020-B2D0-2C1CA300EB5EQ48025387-C3A41594-1CD3-4237-B03A-918FCC51FABCQ50722188-9025B1DA-088C-40D2-A8D4-96012810775BQ51063532-AE3351FF-9148-44CC-995A-5498097CCDB2Q51239696-B2F7C40E-7C96-4802-AEA9-304214D58D8AQ51289218-676C5EE4-2BE3-40F5-AC4B-DAF9AECBA06BQ51330906-787B3CE2-E48C-445C-B15F-18233E9E6FF3Q51366151-3ED2D7E3-8EBB-454E-91E5-3F1D9DD29AB4Q51607678-2A2A00A2-3B1B-439C-B8B6-5D190DE8108AQ51623197-11154A7E-CDD5-49A1-85E5-440B8E9A21ADQ51776001-F2328D95-33F8-42BD-89E2-AE1B2BE5B046Q57495049-CF93945B-C6DF-407B-BF6A-B9F1E4AE58F0Q58325556-5C620BE9-5916-44D4-82B8-5431E1E281B3
P2860
Prediction of crystal structures from crystal chemistry rules by simulated annealing
description
article publié dans la revue scientifique Nature
@fr
scientific article published in Nature
@en
wetenschappelijk artikel
@nl
наукова стаття, опублікована в Nature в липні 1990
@uk
name
Prediction of crystal structures from crystal chemistry rules by simulated annealing
@en
Prediction of crystal structures from crystal chemistry rules by simulated annealing
@nl
type
label
Prediction of crystal structures from crystal chemistry rules by simulated annealing
@en
Prediction of crystal structures from crystal chemistry rules by simulated annealing
@nl
prefLabel
Prediction of crystal structures from crystal chemistry rules by simulated annealing
@en
Prediction of crystal structures from crystal chemistry rules by simulated annealing
@nl
P2093
P356
P1433
P1476
Prediction of crystal structures from crystal chemistry rules by simulated annealing
@en
P2093
J. Bassas-Alsina
J. Pannetier
J. Rodriguez-Carvajal
V. Caignaert
P2888
P304
P356
10.1038/346343A0
P407
P577
1990-07-01T00:00:00Z
P6179
1021913995