Zobrazeno 1 - 10
of 25
pro vyhledávání: '"Lena Simine"'
Publikováno v:
The Journal of Physical Chemistry Letters. 13:1057-1062
Monolayer amorphous carbon (MAC) is a recently synthesized disordered 2D carbon material. An ensemble of MAC nanofragments contains diverse manifestations of lattice disorder, and because of disorder the key unifying characteristic of this ensemble i
Autor:
Yu Wang, Lena Simine
The signed particle Monte Carlo (SPMC) approach has been used in the past to model steady-state and transient dynamics of the Wigner quasi-distribution for electrons in low-dimensional semiconductors. Here, we make a step toward high-dimensional quan
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ced16ba035c20ee63076d856004b56c7
http://arxiv.org/abs/2301.04820
http://arxiv.org/abs/2301.04820
Autor:
Siba Moussa, Michael Kilgour, Clara Jans, Alex Hernandez-Garcia, Miroslava Cuperlovic-Culf, Yoshua Bengio, Lena Simine
Inverse design of short single-stranded RNA and DNA sequences (aptamers) is the task of finding sequences that satisfy a set of desired criteria. Relevant criteria may be, for example, the presence of specific folding motifs, binding to molecular lig
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::70dd89841d9ae043aa87b2f49271bcff
https://nrc-publications.canada.ca/eng/view/object/?id=9e444dc1-33ed-4e2e-8813-62c543d375ab
https://nrc-publications.canada.ca/eng/view/object/?id=9e444dc1-33ed-4e2e-8813-62c543d375ab
Publikováno v:
J Chem Inf Model
We present the E2EDNA simulation protocol and accompanying code for the molecular biophysics and materials science communities. This protocol is both easy to use and sufficiently efficient to simulate single-stranded (ss)DNA and small analyte systems
Publikováno v:
Proceedings of the National Academy of Sciences of the United States of America. 119(16)
While crystallization is a ubiquitous and an important process, the microscopic picture of crystal nucleation is yet to be established. Recent studies suggest that the nucleation process can be more complex than the view offered by the classical nucl
Publikováno v:
The journal of physical chemistry letters. 13(1)
In molecular electronic conduction, exotic lattice morphologies often give rise to exotic behaviors. Among 2D systems, graphene is a notable example. Recently, a stable amorphous version of graphene called monolayer amorphous carbon (MAC) was synthes
Publikováno v:
The International Conference on Ultrafast Phenomena (UP) 2022.
We present the characterization of multiexciton interactions in semiconductor CdSe quantum dots through two-dimensional electronic spectroscopy (2DES) and quantum dynamics simulations. Our simulations reproduce the overall shape of the experimental 2
Crystallization is an important process in a wide range of disciplines from fundamental science to industrial application. Despite the importance of controlling the crystallization and its morphology (e.g. polymorphism), the lack of microscopic descr
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ee83978420f6022b8d44f1d2a5dde037
https://doi.org/10.26434/chemrxiv.14317649
https://doi.org/10.26434/chemrxiv.14317649
Autor:
Yu Wang, Lena Simine
This paper presents the Signed Particles Monte Carlo algorithm for the solution of the transient Wigner equation for potentials relevant in chemical physics. Benchmarks include the harmonic and the double well potentials.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1026debb096a071203f263d701575de6
https://doi.org/10.26434/chemrxiv.14540742
https://doi.org/10.26434/chemrxiv.14540742
Publikováno v:
Journal of Open Source Software. 7:4182