Carrasco-Busturia D - Search Results

1

Element-specific investigations of ultrafast dynamics in photoexcited Cu₂ZnSnS₄ nanoparticles in solution.

Rein C, Uhlig J, Carrasco-Busturia D, Khalili K, Gertsen AS, Moltke A, Zhang X, Katayama T, Lastra JMG, Nielsen MM, Adachi SI, Haldrup K, Andreasen JW. Rein C, et al. Among authors: carrasco busturia d. Struct Dyn. 2021 Apr 7;8(2):024501. doi: 10.1063/4.0000055. eCollection 2021 Mar. Struct Dyn. 2021. PMID: 33869663 Free PMC article.

2

Ab initio Molecular Dynamics Investigations of the Speciation and Reactivity of Deep Eutectic Electrolytes in Aluminum Batteries.

Carrasco-Busturia D, Lysgaard S, Jankowski P, Vegge T, Bhowmik A, García-Lastra JM. Carrasco-Busturia D, et al. ChemSusChem. 2021 May 6;14(9):2034-2041. doi: 10.1002/cssc.202100163. Epub 2021 Apr 6. ChemSusChem. 2021. PMID: 33682346

3

Ab initio Molecular Dynamics Investigations of the Speciation and Reactivity of Deep Eutectic Electrolytes in Aluminum Batteries.

Carrasco-Busturia D, Lysgaard S, Jankowski P, Vegge T, Bhowmik A, García-Lastra JM. Carrasco-Busturia D, et al. ChemSusChem. 2021 May 6;14(9):1973. doi: 10.1002/cssc.202100735. Epub 2021 Apr 14. ChemSusChem. 2021. PMID: 33852198

4

Understanding the Molecular Structure of the Elastic and Thermoreversible AlCl₃ : Urea/Polyethylene Oxide Gel Electrolyte.

Miguel Á, Fornari RP, García N, Bhowmik A, Carrasco-Busturia D, García-Lastra JM, Tiemblo P. Miguel Á, et al. ChemSusChem. 2020 Oct 21;13(20):5523-5530. doi: 10.1002/cssc.202001557. Epub 2020 Sep 4. ChemSusChem. 2020. PMID: 32813325

5

Pressure Effects on 3dⁿ (n=4, 9) Insulating Compounds: Long Axis Switch in Na₃ MnF₆ not Due to the Jahn-Teller Effect.

Sánchez-Movellán I, Carrasco-Busturia D, García-Lastra JM, García-Fernández P, Aramburu JA, Moreno M. Sánchez-Movellán I, et al. Among authors: carrasco busturia d. Chemistry. 2022 Aug 1;28(43):e202200948. doi: 10.1002/chem.202200948. Epub 2022 Jun 14. Chemistry. 2022. PMID: 35638136 Free PMC article.

6

Polarizable Embedding without Artificial Boundary Polarization.

Kvedaravičiūtė S, Carrasco-Busturia D, Møller KB, Olsen JMH. Kvedaravičiūtė S, et al. Among authors: carrasco busturia d. J Chem Theory Comput. 2023 Aug 8;19(15):5122-5141. doi: 10.1021/acs.jctc.3c00434. Epub 2023 Jul 17. J Chem Theory Comput. 2023. PMID: 37458793

7

Red Shift in Optical Excitations on Layered Copper Perovskites under Pressure: Role of the Orthorhombic Instability.

Carrasco-Busturia D, Sánchez-Movellán I, Tygesen AS, Bhowmik A, García-Lastra JM, Aramburu JA, Moreno M. Carrasco-Busturia D, et al. Chemistry. 2023 Jan 24;29(5):e202202933. doi: 10.1002/chem.202202933. Epub 2022 Dec 5. Chemistry. 2023. PMID: 36322429 Free PMC article.

8

Polarizable Embedding Potentials through Molecular Fractionation with Conjugate Caps Including Hydrogen Bonds.

Carrasco-Busturia D, Olsen JMH. Carrasco-Busturia D, et al. J Chem Theory Comput. 2023 Sep 26;19(18):6510-6520. doi: 10.1021/acs.jctc.3c00613. Epub 2023 Sep 4. J Chem Theory Comput. 2023. PMID: 37665268

9

MiMiC: A high-performance framework for multiscale molecular dynamics simulations.

Antalík A, Levy A, Kvedaravičiūtė S, Johnson SK, Carrasco-Busturia D, Raghavan B, Mouvet F, Acocella A, Das S, Gavini V, Mandelli D, Ippoliti E, Meloni S, Carloni P, Rothlisberger U, Olsen JMH. Antalík A, et al. Among authors: carrasco busturia d. J Chem Phys. 2024 Jul 14;161(2):022501. doi: 10.1063/5.0211053. J Chem Phys. 2024. PMID: 38990116

10

Electron-vibrational renormalization in fullerenes through ab initio and machine learning methods.

García-Risueño P, Armengol E, García-Cerdaña À, García-Lastra JM, Carrasco-Busturia D. García-Risueño P, et al. Among authors: carrasco busturia d. Phys Chem Chem Phys. 2024 Jul 31;26(30):20310-20324. doi: 10.1039/d4cp00632a. Phys Chem Chem Phys. 2024. PMID: 38984472

Save citations to file

Email citations

Send citations to clipboard

Add to Collections

Add to My Bibliography

Create a file for external citation management software

Your saved search

Your RSS Feed

My Custom Filters

Publication date

Text availability

Article attribute

Article type

Article Language

Species

Sex

Age

Other

11 results

Search Page

Filters