Carlos H Borca
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Explore the profile of Carlos H Borca including associated specialties, affiliations and a list of published articles.
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Articles
18
Citations
137
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Recent Articles
1.
Borca C, Glick Z, Metcalf D, Burns L, Sherrill C
J Chem Phys
. 2023 Jun;
158(23).
PMID: 37318167
The many-body expansion (MBE) is promising for the efficient, parallel computation of lattice energies in organic crystals. Very high accuracy should be achievable by employing coupled-cluster singles, doubles, and perturbative...
2.
Sargent C, Metcalf D, Glick Z, Borca C, Sherrill C
J Chem Phys
. 2023 Feb;
158(5):054112.
PMID: 36754814
Using the many-body expansion to predict crystal lattice energies (CLEs), a pleasantly parallel process, allows for flexibility in the choice of theoretical methods. Benchmark-level two-body contributions to CLEs of 23...
3.
Imani R, Borca C, Pazoki M, Edvinsson T
RSC Adv
. 2022 Oct;
12(39):25415-25423.
PMID: 36199341
Mixed-cation perovskite materials have shown great potential for sunlight harvesting and have surpassed unmixed perovskite materials in solar cell efficiency and stability. The role of mixed monovalent cations in the...
4.
Tamasi M, Patel R, Borca C, Kosuri S, Mugnier H, Upadhya R, et al.
Adv Mater
. 2022 May;
34(30):e2201809.
PMID: 35593444
Polymer-protein hybrids are intriguing materials that can bolster protein stability in non-native environments, thereby enhancing their utility in diverse medicinal, commercial, and industrial applications. One stabilization strategy involves designing synthetic...
5.
Kosuri S, Borca C, Mugnier H, Tamasi M, Patel R, Perez I, et al.
Adv Healthc Mater
. 2022 Feb;
11(10):e2102101.
PMID: 35112508
Among the many molecules that contribute to glial scarring, chondroitin sulfate proteoglycans (CSPGs) are known to be potent inhibitors of neuronal regeneration. Chondroitinase ABC (ChABC), a bacterial lyase, degrades the...
6.
Smith D, Lolinco A, Glick Z, Lee J, Alenaizan A, Barnes T, et al.
J Chem Phys
. 2021 Dec;
155(20):204801.
PMID: 34852489
Community efforts in the computational molecular sciences (CMS) are evolving toward modular, open, and interoperable interfaces that work with existing community codes to provide more functionality and composability than could...
7.
Alenaizan A, Borca C, Karunakaran S, Kendall A, Stubbs G, Schuster G, et al.
J Am Chem Soc
. 2021 Apr;
143(16):6079-6094.
PMID: 33852800
Aqueous solutions of equimolar mixtures of 2,4,6-triaminopyrimidine (TAP) and carboxylic acid substituted cyanuric acid (CyCo6 or 4MeCyCo6) monomers self-assemble into gel-forming supramolecular polymers. Macroscopic fibers drawn from these mixtures were...
8.
Wilson V, Mugheirbi N, Mosquera-Giraldo L, Deac A, Moseson D, Smith D, et al.
Mol Pharm
. 2021 Feb;
18(3):836-849.
PMID: 33539105
Amorphous solid dispersions (ASDs), which consist of a drug dispersed in a polymeric matrix, are increasingly being applied to improve the performance of poorly water-soluble drugs delivered orally. The polymer...
9.
Mosquera M, Jones L, Borca C, Ratner M, Schatz G
J Phys Chem A
. 2020 Jun;
124(28):5954-5962.
PMID: 32543853
We recently proposed domain separated density functional theory (DS-DFT), a framework that allows for the combination of different levels of theory for the computation of the electronic structure of molecules....
10.
Tancogne-Dejean N, Oliveira M, Andrade X, Appel H, Borca C, Le Breton G, et al.
J Chem Phys
. 2020 Apr;
152(12):124119.
PMID: 32241132
Over the last few years, extraordinary advances in experimental and theoretical tools have allowed us to monitor and control matter at short time and atomic scales with a high degree...