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D

David Carrasco‐Busturia

royal institute of technology

7H指数
42论文数
113被引数
收录论文 15
发表时间
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Multiphoton Absorption Spectra of Channelrhodopsin-2 via Multiscale Simulation Methods
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2026-01-01
err0
PREAI
errCarrasco-Busturia, David; Linares, Mathieu; Norman, Patrick; Haugaard Olsen, Jogvan Magnus
err分享
err收藏
In silico docking yields small molecule negative allosteric modulators targeting the core of Frizzled 7计算机模拟对接获得了靶向Frizzled 7核心的小分子负向别构调节剂
errNature Communications
IF15.7
err2025-12-14
err0
errOAAI
errMagdalena M. Scharf; Julia Kinsolving; Lukas Grätz; Jan Hendrik Voss; David Carrasco-Busturia; Björn Forsberg; Peter Kolb; Gunnar Schulte
err分享
err收藏
VeloxChem Quantum–Classical Interoperability for Modeling of Complex Molecular SystemsVeloxChem 量子-经典互操作性：复杂分子系统的建模
errThe Journal of Physical Chemistry A
IF0
err2025-08-03
err0
PREAI
errJuan Angel de Gracia Triviño; Iulia Emilia Brumboiu; David Carrasco-Busturia; Xin Li; Chenxi Li; Mathieu Linares; Valentin Lindfeld; Young Min Rhee; Julia Rune; Bastiaan van Hoorn; Patrick Norman; Mårten S. G. Ahlquist
err分享
err收藏
Workflow for Harmonic IR and Raman Spectra of Embedded Systems: The PE-QM Approach嵌入式系统谐振红外和拉曼光谱的工作流程：PE-QM方法
errThe Journal of Physical Chemistry A
IF0
err2025-07-18
err0
errOAAI
errJonas Vester; David Carrasco-Busturia; Kenneth Ruud; Magnus Ringholm; Jógvan Magnus Haugaard Olsen
err分享
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MiMiC: A high-performance framework for multiscale molecular dynamics simulations
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-07-11
err1
errOAAI
errAntalik, Andrej; Levy, Andrea; Kvedaraviciute, Sonata; Johnson, Sophia K.; Carrasco-Busturia, David; Raghavan, Bharath; Mouvet, Francois; Acocella, Angela; Das, Sambit; Gavini, Vikram; Mandelli, Davide; Ippoliti, Emiliano; Meloni, Simone; Carloni, Paolo; Rothlisberger, Ursula; Olsen, Jogvan Magnus Haugaard
err分享
err收藏
Multiscale biomolecular simulations in the exascale era
errCURRENT OPINION IN STRUCTURAL BIOLOGY
IF7
err2024-06-01
err3
errOAAI
errCarrasco-Busturia, David; Ippoliti, Emiliano; Meloni, Simone; Rothlisberger, Ursula; Olsen, Jogvan Magnus Haugaard
err分享
err收藏
Polarizable Embedding Potentials through Molecular Fractionation with Conjugate Caps Including Hydrogen Bonds
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-09-04
err1
errOAAI
errCarrasco-Busturia, David; Olsen, Joïgvan Magnus Haugaard
err分享
err收藏
Polarizable Embedding without Artificial Boundary Polarization
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-07-17
err1
errOAAI
errKvedaraviciute, Sonata; Carrasco-Busturia, David; Moller, Klaus B.; Olsen, Joïgvan Magnus Haugaard
err分享
err收藏
Red Shift in Optical Excitations on Layered Copper Perovskites under Pressure: Role of the Orthorhombic Instability
errCHEMISTRY-A EUROPEAN JOURNAL
IF3.7
err2022-12-05
err5
errOAAI
errCarrasco-Busturia, David; Sanchez-Movellan, Ines; Tygesen, Alexander Sougaard; Bhowmik, Arghya; Garcia-Lastra, Juan Maria; Antonio Aramburu, Jose; Moreno, Miguel
err分享
err收藏
Pressure Effects on 3dn (n=4, 9) Insulating Compounds: Long Axis Switch in Na3MnF6 not Due to the Jahn-Teller Effect
errCHEMISTRY-A EUROPEAN JOURNAL
IF3.7
err2022-06-14
err4
errOAAI
errSanchez-Movellan, Ines; Carrasco-Busturia, David; Garcia-Lastra, Juan M.; Garcia-Fernandez, Pablo; Aramburu, Jose A.; Moreno, Miguel
err分享
err收藏
Influence of Ionic Coordination on the Cathode Reaction Mechanisms of Al/S Batteries离子配位对Al/S电池阴极反应机理的影响
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2022-01-05
err5
errOAAI
errBhowmik, Arghya; Carrasco-Busturia, David; Jankowski, Piotr; Raccichini, Rinaldo; Garcia-Araez, Nuria; Garcia-Lastra, Juan Maria
err分享
err收藏
The temperature - pressure phase diagram of the calcite I - calcite II phase transition: A first-principles investigation
errJOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS
IF4.9
err2021-07-01
err1
PREAI
errCarrasco-Busturia, David
err分享
err收藏
Polymers for aluminium secondary batteries: Solubility, ionogel formation and chloroaluminate speciation
errPOLYMER
IF4.5
err2021-05-01
err9
errOAAI
errMiguel, Alvaro; Jankowski, Piotr; Pablos, Jesus L.; Corrales, Teresa; Lopez-Cudero, Ana; Bhowmik, Arghya; Carrasco-Busturia, David; Ellis, Gary; Garcia, Nuria; Garcia-Lastra, J. M.; Tiemblo, Pilar
err分享
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Ab initio Molecular Dynamics Investigations of the Speciation and Reactivity of Deep Eutectic Electrolytes in Aluminum Batteries
errCHEMSUSCHEM
IF6.6
err2021-04-14
err0
errOAAI
errCarrasco-Busturia, David; Lysgaard, Steen; Jankowski, Piotr; Vegge, Tejs; Bhowmik, Arghya; Garcia-Lastra, Juan Maria
err分享
err收藏
Ab initio Molecular Dynamics Investigations of the Speciation and Reactivity of Deep Eutectic Electrolytes in Aluminum Batteries
errCHEMSUSCHEM
IF6.6
err2021-04-06
err6
errOAAI
errCarrasco-Busturia, David; Lysgaard, Steen; Jankowski, Piotr; Vegge, Tejs; Bhowmik, Arghya; Garcia-Lastra, Juan Maria
err分享
err收藏

研究方向

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合作学者
合作期刊
U
Ursula Röthlisberger
H 指数: 81 · 论文数: 564
李鑫 封面图
李鑫 (Xin Li)
H 指数: 72 · 论文数: 661
K
Kenneth Ruud
H 指数: 72 · 论文数: 422
T
Tejs Vegge
H 指数: 66 · 论文数: 432
P
Paolo Carloni
H 指数: 63 · 论文数: 523
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