Carlos Vega
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Explore the profile of Carlos Vega including associated specialties, affiliations and a list of published articles.
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88
Citations
572
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Recent Articles
1.
Sedano L, Vega C, Noya E, Sanz E
J Chem Phys
. 2025 Jan;
162(1.
PMID: 39777511
Rigid, non-polarizable water models are very efficient from a computational point of view, and some of them have a great ability in predicting experimental properties. There is, however, little room...
2.
Vega C, Medina N, Quintana-Quintana L, Leon R, Fabelo H, Rial J, et al.
Sci Rep
. 2025 Jan;
15(1):820.
PMID: 39755771
Cervical cancer remains a major global health concern, with a specially alarming incidence in younger women. Traditional detection techniques such as the Pap smear and colposcopy often lack sensitivity and...
3.
Blazquez S, Sedano L, Vega C
J Chem Phys
. 2024 Dec;
161(22).
PMID: 39651952
The Madrid-2019 force field was recently developed to perform simulations of electrolytes in water. The model was specifically parameterized for TIP4P/2005 water and uses scaled charges for the ions. In...
4.
Predictions of the interfacial free energy along the coexistence line from single-state calculations
Sanchez-Burgos I, Montero de Hijes P, Sanz E, Vega C, Espinosa J
J Chem Phys
. 2024 Nov;
161(20).
PMID: 39575743
The calculation of the interfacial free energy between two thermodynamic phases is crucial across various fields, including materials science, chemistry, and condensed matter physics. In this study, we apply an...
5.
de Jager M, Vega C, Montero de Hijes P, Smallenburg F, Filion L
J Chem Phys
. 2024 Nov;
161(18).
PMID: 39513443
In the study of crystal nucleation via computer simulations, hard spheres are arguably the most extensively explored model system. Nonetheless, even in this simple model system, the complex thermodynamics of...
6.
de Lucas M, Blazquez S, Troncoso J, Vega C, Gamez F
J Phys Chem Lett
. 2024 Sep;
15(37):9411-9418.
PMID: 39248393
We present a rigid model for the OH ion parametrized for binary mixtures with TIP4P/2005-type water molecules. Li, Na and K were selected as counterions, hence mimicking the important and...
7.
Gispen W, Espinosa J, Sanz E, Vega C, Dijkstra M
J Chem Phys
. 2024 May;
160(17).
PMID: 38748001
In this work, we introduce variational umbrella seeding, a novel technique for computing nucleation barriers. This new method, a refinement of the original seeding approach, is far less sensitive to...
8.
Habibi P, Polat H, Blazquez S, Vega C, Dey P, Vlugt T, et al.
J Phys Chem Lett
. 2024 Apr;
15(16):4477-4485.
PMID: 38634502
Non-polarizable force fields fail to accurately predict free energies of aqueous electrolytes without compromising the predictive ability for densities and transport properties. A new approach is presented in which (1)...
9.
Vega C, Ostaszewski M, Groues V, Schneider R, Satagopam V
Database (Oxford)
. 2024 Mar;
2024.
PMID: 38537198
Curation of biomedical knowledge into systems biology diagrammatic or computational models is essential for studying complex biological processes. However, systems-level curation is a laborious manual process, especially when facing ever-increasing...
10.
Nahm W, Corriveau D, Mathe C, Wyant W, Vega C, Arthur A, et al.
J Drugs Dermatol
. 2024 Mar;
23(3):e81-e82.
PMID: 38443117
Mastocytosis is a group of disorders characterized by the pathologic accumulation of mast cells in various tissues. One example of mastocytosis is urticaria pigmentosa, which presents with mastocytomas that can...