Carlos H. Borca, Ph.D.
Affiliations: | 2012-2017 | Chemistry | Purdue University, West Lafayette, IN, United States |
Area:
Effective Fragment PotentialWebsite:
http://carlosborca.github.ioGoogle:
"Carlos H. Borca"Mean distance: (not calculated yet)
Parents
Sign in to add mentor| Lyudmila V. Slipchenko | grad student | 2012-2017 | Purdue |
| Michael A Webb | post-doc | 2020- | Princeton |
| C. David Sherrill | post-doc | 2017-2020 | Georgia Tech |
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Publications
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| Borca CH, Glick ZL, Metcalf DP, et al. (2023) Benchmark coupled-cluster lattice energy of crystalline benzene and assessment of multi-level approximations in the many-body expansion. The Journal of Chemical Physics. 158 |
| Sargent CT, Metcalf DP, Glick ZL, et al. (2023) Benchmarking two-body contributions to crystal lattice energies and a range-dependent assessment of approximate methods. The Journal of Chemical Physics. 158: 054112 |
| Tamasi MJ, Patel RA, Borca CH, et al. (2022) Machine Learning on a Robotic Platform for the Design of Polymer-Protein Hybrids. Advanced Materials (Deerfield Beach, Fla.). e2201809 |
| Kosuri S, Borca CH, Mugnier H, et al. (2022) Machine-Assisted Discovery of Chondroitinase ABC Complexes toward Sustained Neural Regeneration. Advanced Healthcare Materials. e2102101 |
| Smith DGA, Lolinco AT, Glick ZL, et al. (2021) Quantum Chemistry Common Driver and Databases (QCDB) and Quantum Chemistry Engine (QCEngine): Automation and interoperability among computational chemistry programs. The Journal of Chemical Physics. 155: 204801 |
| Alenaizan A, Borca CH, Karunakaran SC, et al. (2021) 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 |
| Wilson VR, Mugheirbi NA, Mosquera-Giraldo LI, et al. (2021) Interaction of Polymers with Enzalutamide Nanodroplets-Impact on Droplet Properties and Induction Times. Molecular Pharmaceutics |
| Mosquera MA, Jones LO, Borca CH, et al. (2020) Domain Separated Density Functional Theory for Reaction Energy Barriers and Optical Excitations. The Journal of Physical Chemistry. A |
| Borca CH, Bakr BW, Burns LA, et al. (2019) CrystaLattE: Automated computation of lattice energies of organic crystals exploiting the many-body expansion to achieve dual-level parallelism. The Journal of Chemical Physics. 151: 144103 |
| Mosquera MA, Jones LO, Borca CH, et al. (2019) Domain Separation in Density Functional Theory. The Journal of Physical Chemistry. A |