Carlos H. Borca

Georgia Institute of Technology — United States

Materials Science · Physical Sciences

16h-index967citations34works0.02yr avg
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Research Topics

Machine Learning in Materials Science(11), Advanced Chemical Physics Studies(8), Drug Solubulity and Delivery Systems(5), Atmospheric chemistry and aerosols(4), Computational Drug Discovery Methods(4)

Publications34 total

Benchmark coupled-cluster lattice energy of crystalline benzene and assessment of multi-level approximations in the many-body expansion
The Journal of Chemical Physics·2023· 16 cited
Benchmarking two-body contributions to crystal lattice energies and a range-dependent assessment of approximate methods
The Journal of Chemical Physics·2023· 7 cited
Machine Learning on a Robotic Platform for the Design of Polymer–Protein Hybrids (Adv. Mater. 30/2022)
Advanced Materials·2022· 5 citedOpen Access
Machine Learning on a Robotic Platform for the Design of Polymer–Protein Hybrids
Advanced Materials·2022· 167 citedOpen Access
Machine‐Assisted Discovery of Chondroitinase ABC Complexes toward Sustained Neural Regeneration (Adv. Healthcare Mater. 10/2022)
Advanced Healthcare Materials·2022· 1 citedOpen Access
Featurization Strategies for Polymer Sequence or Composition Design by Machine Learning
2022· 3 citedOpen Access
Machine‐Assisted Discovery of Chondroitinase ABC Complexes toward Sustained Neural Regeneration
Advanced Healthcare Materials·2022· 70 citedOpen Access
Machine Learning on a Robotic Platform for the Design of Polymer-Protein Hybrids
2022· 13 citedOpen Access
Excited-state charge polarization and electronic structure of mixed-cation halide perovskites: the role of mixed inorganic–organic cations in CsFAPbI<sub>3</sub>
RSC Advances·2022· 13 citedOpen Access
Featurization strategies for polymer sequence or composition design by machine learning
Molecular Systems Design & Engineering·2022· 92 cited
Quantum Chemistry Common Driver and Databases (QCDB) and Quantum Chemistry Engine (QCE<scp>ngine</scp>): Automation and interoperability among computational chemistry programs
The Journal of Chemical Physics·2021· 41 citedOpen Access
Featurization Strategies for Polymer Sequence or Composition Design by Machine Learning
2021· 2 citedOpen Access
Featurization Strategies for Polymer Sequence or Composition Design by Machine Learning
2021· 2 citedOpen Access
X-ray Fiber Diffraction and Computational Analyses of Stacked Hexads in Supramolecular Polymers: Insight into Self-Assembly in Water by Prospective Prebiotic Nucleobases
Journal of the American Chemical Society·2021· 19 citedOpen Access
Interaction of Polymers with Enzalutamide Nanodroplets—Impact on Droplet Properties and Induction Times
Molecular Pharmaceutics·2021· 21 cited
Domain Separated Density Functional Theory for Reaction Energy Barriers and Optical Excitations
The Journal of Physical Chemistry A·2020Open Access
Octopus a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems
Terrestrial Environment Research Center (University of Tsukuba)·2020· 131 citedOpen Access
CrystaLattE: Automated computation of lattice energies of organic crystals exploiting the many-body expansion to achieve dual-level parallelism
The Journal of Chemical Physics·2019· 26 cited
Morphology of Organic Semiconductors Electrically Doped from Solution Using Phosphomolybdic Acid
Chemistry of Materials·2019· 5 cited
Domain Separation in Density Functional Theory
The Journal of Physical Chemistry A·2019· 10 cited
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Frequent Co-authors

Lyudmila V. Slipchenko(11), Michael A. Webb(8), Roshan Patel(7), C. David Sherrill(6), Matthew Tamasi(5), Shashank Kosuri(5), Heloise Mugnier(5), Adam J. Gormley(5), Laura I. Mosquera-Giraldo(5), Lynne S. Taylor(5), P. B. Shepson(4), Martín A. Mosquera(4), Rahul Upadhya(3), N. Sanjeeva Murthy(3), Kevin J. Edgar(3), Zachary L. Glick(3), Lori A. Burns(3), Mark A. Ratner(3), George C. Schatz(3), Joel D. Rindelaub(2)