Detalhe da pesquisa
1.
Building insightful, memory-enriched models to capture long-time biochemical processes from short-time simulations.
Proc Natl Acad Sci U S A
; 120(12): e2221048120, 2023 03 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-36920924
2.
Hot carrier extraction from 2D semiconductor photoelectrodes.
Proc Natl Acad Sci U S A
; 120(15): e2220333120, 2023 Apr 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-37011201
3.
Efficient formulation of multitime generalized quantum master equations: Taming the cost of simulating 2D spectra.
J Chem Phys
; 160(4)2024 Jan 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-38270238
4.
Trion Formation Resolves Observed Peak Shifts in the Optical Spectra of Transition-Metal Dichalcogenides.
Nano Lett
; 23(13): 6035-6041, 2023 Jul 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-37311112
5.
Memory Unlocks the Future of Biomolecular Dynamics: Transformative Tools to Uncover Physical Insights Accurately and Efficiently.
J Am Chem Soc
; 145(18): 9916-9927, 2023 05 10.
Artigo
em Inglês
| MEDLINE | ID: mdl-37104720
6.
Compact and complete description of non-Markovian dynamics.
J Chem Phys
; 158(1): 014105, 2023 Jan 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-36610963
7.
A derivation of the conditions under which bosonic operators exactly capture fermionic structure and dynamics.
J Chem Phys
; 158(9): 094112, 2023 Mar 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-36889969
8.
An accurate and efficient Ehrenfest dynamics approach for calculating linear and nonlinear electronic spectra.
J Chem Phys
; 158(7): 074107, 2023 Feb 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-36813724
9.
Beyond the Condon limit: Condensed phase optical spectra from atomistic simulations.
J Chem Phys
; 159(24)2023 Dec 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-38153146
10.
Optically Induced Anisotropy in Time-Resolved Scattering: Imaging Molecular-Scale Structure and Dynamics in Disordered Media with Experiment and Theory.
Phys Rev Lett
; 129(5): 056001, 2022 Jul 29.
Artigo
em Inglês
| MEDLINE | ID: mdl-35960558
11.
Pllans-II Induces Cell Death in Cervical Cancer Squamous Epithelial Cells via Unfolded Protein Accumulation and Endoplasmic Reticulum Stress.
Molecules
; 27(19)2022 Oct 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-36235027
12.
Technical note: preliminary insight into a new method for age-at-death estimation from the pubic symphysis.
Int J Legal Med
; 135(3): 929-937, 2021 May.
Artigo
em Inglês
| MEDLINE | ID: mdl-33025098
13.
Phylogenetic analysis of the first four SARS-CoV-2 cases in Chile.
J Med Virol
; 92(9): 1562-1566, 2020 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-32222995
14.
The Atlantic salmon interleukin 4/13 receptor family: Structure, tissue distribution and modulation of gene expression.
Fish Shellfish Immunol
; 98: 773-787, 2020 Mar.
Artigo
em Inglês
| MEDLINE | ID: mdl-31734286
15.
Excited state diabatization on the cheap using DFT: Photoinduced electron and hole transfer.
J Chem Phys
; 153(24): 244111, 2020 Dec 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-33380087
16.
On the advantages of exploiting memory in Markov state models for biomolecular dynamics.
J Chem Phys
; 153(1): 014105, 2020 Jul 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-32640825
17.
The effectiveness of vaccination to prevent the papillomavirus infection: a systematic review and meta-analysis.
Epidemiol Infect
; 147: e156, 2019 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-31063090
18.
Accurate and efficient DFT-based diabatization for hole and electron transfer using absolutely localized molecular orbitals.
J Chem Phys
; 151(16): 164114, 2019 Oct 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-31675855
19.
Efficient construction of generalized master equation memory kernels for multi-state systems from nonadiabatic quantum-classical dynamics.
J Chem Phys
; 150(24): 244109, 2019 Jun 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-31255061
20.
Optical spectra in the condensed phase: Capturing anharmonic and vibronic features using dynamic and static approaches.
J Chem Phys
; 151(7): 074111, 2019 Aug 21.
Artigo
em Inglês
| MEDLINE | ID: mdl-31438704