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Electronic Structure Methods for Crystals, Molecular Fragmentation Methods, Machine Learning Applications, Classical Molecular Dynamics, Density Functional Development & Application, Scientific Computing

Biography

A pragmatic theoretical and computational chemist that enjoys engaging problems involving real-life applications and developing original scientific software solutions. Currently working as a Scientist II in Computational Chemistry at PTC Therapeutics Inc. since 2021, under the supervision of Dr. Anthony R. Mazzotti.

Formerly, he was appointed, since 2020, as a Postdoctoral Research Associate with the group of Prof. Michael A. Webb, in the Department of Chemical and Biological Engineering at Princeton University, where he developed machine learning approaches for rationale, automated polymer synthesis.

Previously, he worked, since 2017, as a Postdoctoral Fellow with the group of Prof. C. David Sherrill, in the School of Chemistry and Biochemistry at the Georgia Institute of Technology, conducting research focused on ab initio methods for molecular crystals.

Graduated with a Ph. D. from the Department of Chemistry at Purdue University in 2017, where he worked with the group of Prof. Lyudmila V. Slipchenko. His doctoral studies, started in 2012, were carried out on polarizable molecular dynamics and density functional approximations to approach intermolecular interactions. Contemporaneously, he earned, in 2016, an Applied Management Principles Mini-MBA certificate from the Krannert School of Management at Purdue University; and also worked at the Lawrence Livermore National Laboratory as a summer intern during the Computational Chemistry and Materials Science Institute of 2015.

In 2011, the Administrative Department of Science, Technology, and Innovation of the Government of Colombia (Colciencias) awarded him with the Virginia Gutierrez de Pineda Young Scientist and Innovator Scholarship to conduct research in computational chemistry, with the advise of Prof. Carlos A. Arango, at Universidad Icesi in Cali, Colombia, where he had been previously appointed as a lecturer of general and physical chemistry laboratories since 2009.

Before that, he graduated with honors for a meritorious research thesis directed by Prof. Julio C. Arce, from a five-year professional degree undergraduate program in Chemistry from Universidad del Valle, in Cali, Colombia in 2009.

Activities

Employment (2)

PTC Therapeutics Inc: Bridgewater, NJ, US

2021-10-04 to present | Scientist II - Computational Chemistry (Chemistry)
Employment
Source: Self-asserted source
Carlos H. Borca

Universidad Icesi: Cali, Valle del Cauca, CO

2009-08 to 2012-08 | Junior Researcher and Laboratory Lecturer (Ciencias Químicas)
Employment
Source: Self-asserted source
Carlos H. Borca

Education and qualifications (5)

Princeton University: Princeton, NJ, US

2020-04 to 2021-09 | Postdoctoral Research Associate (Chemical and Biological Engineering)
Education
Source: Self-asserted source
Carlos H. Borca

Georgia Institute of Technology: Atlanta, GA, US

2017-09 to 2020-03 | Postdoctoral Fellow (Chemistry and Biochemistry)
Education
Source: Self-asserted source
Carlos H. Borca

Purdue University: West Lafayette, IN, US

2012-08 to 2017-05 | Doctor of Philosophy (Chemistry)
Education
Source: Self-asserted source
Carlos H. Borca

Universidad del Valle: Cali, Valle del Cauca, CO

2004-08 to 2009-11 | Professional (5-Year) (Chemistry)
Education
Source: Self-asserted source
Carlos H. Borca

Colegio Berchmans: Cali, Valle del Cauca, CO

1990-08 to 2004-05 | Academic High-school Diploma
Education
Source: Self-asserted source
Carlos H. Borca

Professional activities (4)

American Chemical Society: Washington, DC, US

2013-07 to present | Member (Computers in Chemistry)
Membership
Source: Self-asserted source
Carlos H. Borca

Professional Chemists Council of Colombia (CPQ): Bogotá, D.C., CO

2010-02 to present | Member
Membership
Source: Self-asserted source
Carlos H. Borca

Jesuit Alumni Association (A.S.I.A. Santiago de Cali): Cali, Valle del Cauca, CO

2004-05 to present | Member
Membership
Source: Self-asserted source
Carlos H. Borca

Colombian Student Association at Purdue University (CSAP): West Lafayette, Indiana, US

2012-07 to 2017-05 | Member
Membership
Source: Self-asserted source
Carlos H. Borca

Works (24)

Benchmark coupled-cluster lattice energy of crystalline benzene and assessment of multi-level approximations in the many-body expansion

The Journal of Chemical Physics
2023-06-21 | Journal article
Contributors: Carlos H. Borca; Zachary L. Glick; Derek P. Metcalf; Lori A. Burns; C. David Sherrill
Source: check_circle
Crossref

Benchmarking two-body contributions to crystal lattice energies and a range-dependent assessment of approximate methods

The Journal of Chemical Physics
2023-02-07 | Journal article
Contributors: Caroline T. Sargent; Derek P. Metcalf; Zachary L. Glick; Carlos H. Borca; C. David Sherrill
Source: check_circle
Crossref

Excited-state charge polarization and electronic structure of mixed-cation halide perovskites: the role of mixed inorganic–organic cations in CsFAPbI3

RSC Advances
2022 | Journal article
Contributors: Roghayeh Imani; Carlos H. Borca; Meysam Pazoki; Tomas Edvinsson
Source: check_circle
Crossref

Machine Learning on a Robotic Platform for the Design of Polymer–Protein Hybrids

Advanced Materials
2022-07 | Journal article
Contributors: Matthew J. Tamasi; Roshan A. Patel; Carlos H. Borca; Shashank Kosuri; Heloise Mugnier; Rahul Upadhya; N. Sanjeeva Murthy; Michael A. Webb; Adam J. Gormley
Source: check_circle
Crossref

Machine‐Assisted Discovery of Chondroitinase ABC Complexes toward Sustained Neural Regeneration

Advanced Healthcare Materials
2022-05 | Journal article
Contributors: Shashank Kosuri; Carlos H. Borca; Heloise Mugnier; Matthew Tamasi; Roshan A. Patel; Isabel Perez; Suneel Kumar; Zachary Finkel; Rene Schloss; Li Cai et al.
Source: check_circle
Crossref

Quantum Chemistry Common Driver and Databases (QCDB) and Quantum Chemistry Engine (QCEngine): Automation and interoperability among computational chemistry programs

The Journal of Chemical Physics
2021-11-28 | Journal article
Contributors: Daniel G. A. Smith; Annabelle T. Lolinco; Zachary L. Glick; Jiyoung Lee; Asem Alenaizan; Taylor A. Barnes; Carlos H. Borca; Roberto Di Remigio; David L. Dotson; Sebastian Ehlert et al.
Source: check_circle
Crossref

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
2021-04-28 | Journal article
Contributors: Asem Alenaizan; Carlos H. Borca; Suneesh C. Karunakaran; Amy K. Kendall; Gerald Stubbs; Gary B. Schuster; C. David Sherrill; Nicholas V. Hud
Source: check_circle
Crossref

Interaction of Polymers with Enzalutamide Nanodroplets—Impact on Droplet Properties and Induction Times

Molecular Pharmaceutics
2021-03-01 | Journal article
Contributors: Venecia R. Wilson; Naila A. Mugheirbi; Laura I. Mosquera-Giraldo; Alexandru Deac; Dana E. Moseson; Daniel T. Smith; Diana C. Novo; Carlos H. Borca; Lyudmila V. Slipchenko; Kevin J. Edgar et al.
Source: check_circle
Crossref

Domain Separated Density Functional Theory for Reaction Energy Barriers and Optical Excitations

The Journal of Physical Chemistry A
2020-07-16 | Journal article
Contributors: Martín A. Mosquera; Leighton O. Jones; Carlos H. Borca; Mark A. Ratner; George C. Schatz
Source: check_circle
Crossref

Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems

The Journal of Chemical Physics
2020-03-31 | Journal article
Contributors: Nicolas Tancogne-Dejean; Micael J. T. Oliveira; Xavier Andrade; Heiko Appel; Carlos H. Borca; Guillaume Le Breton; Florian Buchholz; Alberto Castro; Stefano Corni; Alfredo A. Correa et al.
Source: check_circle
Crossref

Optimization of the synthesis of quinoline-based neutral cyclometalated iridium complexes via microwave irradiation: design of light harvesting and emitting complexes using bulky quinolines

Organic Chemistry Frontiers
2019 | Journal article
Contributors: Carlos A. Echeverry-Gonzalez; Carlos E. Puerto-Galvis; Carlos H. Borca; Martín A. Mosquera; Andrés F. Luis-Robles; Vladimir V. Kouznetsov
Source: check_circle
Crossref

CrystaLattE: Automated computation of lattice energies of organic crystals exploiting the many-body expansion to achieve dual-level parallelism

The Journal of Chemical Physics
2019-10-14 | Journal article
Contributors: Carlos H. Borca; Brandon W. Bakr; Lori A. Burns; C. David Sherrill
Source: check_circle
Crossref

Morphology of Organic Semiconductors Electrically Doped from Solution Using Phosphomolybdic Acid

Chemistry of Materials
2019-09-10 | Journal article
Contributors: Tzu-Yen Huang; Felipe A. Larrain; Carlos H. Borca; Canek Fuentes-Hernandez; Hongping Yan; Sebastian Alexander Schneider; Wen-Fang Chou; Victor A. Rodriguez-Toro; Hans-Georg Steinrück; Chuntian Cao et al.
Source: check_circle
Crossref

Domain Separation in Density Functional Theory

The Journal of Physical Chemistry A
2019-06-06 | Journal article
Contributors: Martín A. Mosquera; Leighton O. Jones; Carlos H. Borca; Mark A. Ratner; George C. Schatz
Source: check_circle
Crossref

Crystallization Inhibition Properties of Cellulose Esters and Ethers for a Group of Chemically Diverse Drugs: Experimental and Computational Insight

Biomacromolecules
2018-12-10 | Journal article
Contributors: Laura I. Mosquera-Giraldo; Carlos H. Borca; Andrew S. Parker; Yifan Dong; Kevin J. Edgar; Stephen P. Beaudoin; Lyudmila V. Slipchenko; Lynne S. Taylor
Source: check_circle
Crossref

Phase Behavior of Drug-Hydroxypropyl Methylcellulose Amorphous Solid Dispersions Produced from Various Solvent Systems: Mechanistic Understanding of the Role of Polymer using Experimental and Theoretical Methods

Molecular Pharmaceutics
2018-06-06 | Journal article
Source: Self-asserted source
Carlos H. Borca

To Be or Not To Be Symmetric: That Is the Question for Potentially Active Vibronic Modes

Journal of Chemical Education
2017-07 | Journal article
Part of ISSN: 0021-9584
Contributors: Sarah F. Tyler; Eileen C. Judkins; Dmitry Morozov; Carlos H. Borca; Lyudmila V. Slipchenko; David. R. McMillin
Source: Self-asserted source
Carlos H. Borca via Crossref Metadata Search

A Comparison of the Crystallization Inhibition Properties of Bile Salts

Crystal Growth & Design
2016-11 | Journal article
Part of ISSN: 1528-7483
Contributors: Na Li; Laura I. Mosquera-Giraldo; Carlos H. Borca; James D. Ormes; Michael Lowinger; John D. Higgins; Lyudmila V. Slipchenko; Lynne S. Taylor
Source: Self-asserted source
Carlos H. Borca via Crossref Metadata Search

Ground-State Charge Transfer: Lithium–Benzene and the Role of Hartree–Fock Exchange

The Journal of Physical Chemistry A
2016-10-07 | Journal article
Part of ISSN: 1089-5639
Contributors: Carlos H. Borca; Lyudmila V. Slipchenko; Adam Wasserman
Source: Self-asserted source
Carlos H. Borca via Crossref Metadata Search

Mechanistic Design of Chemically Diverse Polymers with Applications in Oral Drug Delivery

Biomacromolecules
2016-10-07 | Journal article
Part of ISSN: 1525-7797
Contributors: Laura I. Mosquera-Giraldo; Carlos H. Borca; Xiangtao Meng; Kevin J. Edgar; Lyudmila V. Slipchenko; Lynne S. Taylor
Source: Self-asserted source
Carlos H. Borca via Crossref Metadata Search

The Acid-Catalyzed Hydrolysis of an α-Pinene-Derived Organic Nitrate: Kinetics, Products, Reaction Mechanisms, and Atmospheric Impact

Atmospheric Chemistry and Physics Discussions
2016-08 | Journal article
Part of ISSN: 1680-7375
Contributors: Joel D. Rindelaub; Carlos H. Borca; Matthew A. Hostetler; Mark A. Lipton; Lyudmila V. Slipchenko; Paul B. Shepson
Source: Self-asserted source
Carlos H. Borca via Crossref Metadata Search

Photochemical degradation of isoprene-derived 4,1-nitrooxy enal

Atmospheric Chemistry and Physics
2016-05-04 | Journal article
Part of ISSN: 1680-7324
Contributors: Fulizi Xiong; Carlos H. Borca; Lyudmila V. Slipchenko; Paul B. Shepson
Source: Self-asserted source
Carlos H. Borca via Crossref Metadata Search

Connection between Hybrid Functionals and Importance of the Local Density Approximation

The Journal of Physical Chemistry A
2016-03 | Journal article
Part of ISSN: 1089-5639
Contributors: Martín A. Mosquera; Carlos H. Borca; Mark A. Ratner; George C. Schatz
Source: Self-asserted source
Carlos H. Borca via Crossref Metadata Search

Molecular Dynamics of a Water-Absorbent Nanoscale Material Based on Chitosan

The Journal of Physical Chemistry B
2016-03 | Journal article
Part of ISSN: 1520-6106
Contributors: Carlos H. Borca; Carlos A. Arango
Source: Self-asserted source
Carlos H. Borca via Crossref Metadata Search

Peer review (3 reviews for 1 publication/grant)

Review activity for The journal of physical chemistry. (3)