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PRESENTATIONS

At University of Massachusetts Amherst

  • Quantum Mechanical Modeling of Molecular Electronics, from First Principles to Machine Learning (Invited). American Chemical Society National Meeting & Exposition, Chicago, IL, 08/2022.
  • Range Separated Hybrid Functionals for Organic Semiconducting Materials. University of Massachusetts Amherst Materials Colloquium, Amherst, MA, 04/2022.
  • First-Principles and Data-Driven Modeling of Organic Semiconductors. University of Massachusetts Amherst, Polymer Science and Engineering Seminar, Amherst, MA, 11/2021.
  • Multi-Carbon Products in Carbon Dioxide Reduction Reactions: A Computational Insights. American Chemical Society National Meeting & Exposition, Online, 03/2021.
  • A Brief Story of H5+, Spectroscopy and Dynamics from Theory (Invited). American Physical Society March Meeting, Online, 03/2021.
  • Three-Carbon Products in Artificial Photosynthesis (Invited). Boston University, Physical Chemistry Seminar, Boston, MA, 11/2020.

Prior to University of Massachusetts Amherst

  • Quantum Chemistry for Complex and Exotic Systems (Invited). University of Georgia, Faculty Candidate Seminar, Athens, GA, 03/2020
  • Quantum Chemistry for Complex and Exotic Systems (Invited). Queens College, City University of New York, Faculty Candidate Seminar, Flushing, NY, 02/2020
  • Quantum Chemistry for Complex and Exotic Systems (Invited). University of California, Riverside, Faculty Candidate Seminar, Riverside, CA, 02/2020
  • Quantum Chemistry for Complex and Exotic Systems (Invited). University of Massachusetts Amherst, Faculty Candidate Seminar, Amherst, MA, 01/2020
  • Quantum Chemistry for Complex and Exotic Systems (Invited). Montana State University, Faculty Candidate Seminar, Bozeman, MT, 12/2019
  • Quantum Chemistry for Complex and Exotic Systems (Invited). The University of Texas at Dallas, Faculty Candidate Seminar, Richardson, TX, 12/2019
  • Quantum Chemistry for Complex and Exotic Systems (Invited). The Pennsylvania State University, Faculty Candidate Seminar, University Park, PA, 12/2019
  • Quantum Chemistry for Complex and Exotic Systems (Invited). Emory University, Faculty Candidate Seminar, Atlanta, GA, 11/2019
  • Quantum Chemistry for Complex and Exotic Systems (Invited). Tufts University, Faculty Candidate Seminar, Medford, MA, 11/2019
  • Two-Dimensional Composites as Carbon Dioxide Reduction Catalysts: A Computational Design. American Institute of Chemical Engineers Annual Meeting, Orlando, FL, 11/2019
  • Formation of C2 and C3 Molecules in CO2 Reduction Reaction: A Computational Exploration. American Institute of Chemical Engineers Annual Meeting, Orlando, FL, 11/2019
  • Quantum Chemistry for Complex and Exotic Systems (Invited). Mississippi State University, Faculty Candidate Seminar, Mississippi State, MS, 11/2019
  • CO2 Reduction Reactions in Artificial Photosynthesis: A Computational Exploration (Invited). Haverford College, Faculty Candidate Seminar, Haverford, PA, 10/2019
  • Computationally Aided Design of Copper-Based Two-Dimensional Composites as Alternative, Active Carbon Dioxide Reduction Catalysts (Invited Talk for Physical Chemistry Young Investigator Award). American Chemical Society National Meeting & Exposition, San Diego, CA,08/2019
  • Formation Pathways to Three-Carbon Products from Carbon Dioxide Reduction Reactions Electrochemically Catalyzed by Metallic Copper Surfaces. American Chemical Society National Meeting & Exposition, San Diego, CA, 08/2019
  • New Directions for Theoretical Models of CO2RR – New Materials, New Mechanisms, and New Methods. Joint Center for Artificial Photosynthesis Theory Workshop, Stanford, CA 12/2018
  • Understanding Quantum Yields in Naphthalenes and Boron-Dipyrromethenes: Towards a Prediction of Non-Radiative Decay Pathways in Organic Optoelectronic Materials. American Chemical Society National Meeting & Exposition, Boston, MA 08/2018
  • Theoretical Molecular Spectroscopy for Astrochemical Species and Organic Semiconductors (Invited). Boston University, Special Physical Chemistry Seminar, Boston, MA, 06/2018
  • Triplet-Tuning: A Novel Non-Empirical Construction Scheme of Exchange Functionals (Selected Contributed Talk). Midwest Theoretical Chemistry Conference, Chicago, IL, 06/2018
  • Energetics and Couplings in Oligoacene-Based Singlet Fission: Efficient and Accurate Density Functional Theory Tells the Story. International Symposium on Molecular Spectroscopy, Urbana-Champaign, IL, 06/2018
  • Understanding Quantum Yields in Naphthalenes and Boron-Dipyrromethenes: Towards a Prediction of Non-Radiative Decay Pathways in Organic Optoelectronic Materials. International Symposium on Molecular Spectroscopy, Urbana-Champaign, IL, 06/2018
  • Theoretical Molecular Spectroscopy for Astrochemical Species and Organic Semiconductors (Invited). University of California, Merced, Special Theory Seminar, Merced, CA, 06/2018
  • Intramolecular Singlet Fission Dynamics. MIT-Harvard Center for Excitonics All Hands Meeting, Cambridge, MA, 01/2018
  • Theoretical Molecular Spectroscopy for Astrochemical Species and Organic Semiconductors (Invited). University of Missouri, Faculty Candidate Seminar, Columbia, MO, 01/2018
  • Theoretical Molecular Spectroscopy for Astrochemical Species and Organic Semiconductors (Invited). Wayne State University, Faculty Candidate Seminar, Detroit, WI, 12/2017
  • Photochemical Dynamics for Intramolecular Singlet Fission in Covalently-Bound Pentacene Dimers (Invited). Materials Day Symposium Poster Preview Session, Cambridge, MA, 10/2017
  • Photochemical Dynamics for Intramolecular Singlet Fission in Covalently-Bound Pentacene Dimers. American Chemical Society National Meeting & Exposition, Washington D.C., 08/2017
  • Photochemical Dynamics for Intramolecular Singlet Fission I: Energy Levels and Non-Adiabatic Couplings (Invited). International Symposium on Molecular Spectroscopy, Urbana-Champaign, IL, 06/2017
  • Triplet Tuning – “Black-Box” Scheme for Constructing Density Functionals. International Symposium on Molecular Spectroscopy, Urbana-Champaign, IL, 06/2017
  • Optimally-Tuned Hybrid Functionals for Excitonic Energies in Organic Semiconductors. MIT-Harvard Center for Excitonics All Hands Meeting, Cambridge, MA, 01/2017
  •  “Black-Box” Theory for Photophysics and Photochemistry in Organic Electronics (Invited). The Ohio State University, Physical Chemistry Student Lecture Series, Columbus, OH, 11/2016
  • Can We Predict Quantum Yields for Fluorescent Dyes Using Excited State Density Functional Theory? International Symposium on Molecular Spectroscopy, Urbana-Champaign, IL, 06/2016
  • Prediction of Quantum Yields for Fluorescent Dyes Using DFT-Based Approach. Eni-MIT Solar Frontier Center All Hands Meeting, Cambridge, MA, 03/2016
  • Theoretical Studies of Singlet Fission in Polyacenes. Eni-MIT Solar Frontier Center All Hands Meeting, Cambridge, MA, 09/2015
  • Group Theoretical Analysis for Energetically Feasible Permutation of Protons in the H3++H2 ↔ H5+ Reaction (Invited). 60 Years of Molecules, Motion and Matrix Elements, Gaithersburg, MD, 06/2016
  • Energetically Feasible Proton Permutations in the Photodissociation of H5+ (Invited). International Symposium on Molecular Spectroscopy, Urbana-Champaign, IL, 06/2016
  • Large Amplitude Motions and Feasible Proton Permutations in the Spectroscopy and Dynamics of H5+. American Chemical Society National Meeting & Exposition, Boston, MA, 08/2015
  • The Role of Large Amplitude Motions in the Rotation/Torsion Coupling in H5+ (Selected Hot Topic Talk). Gordon Research Conference on Gaseous Ions, Galveston, TX, 02/2015
  • Roles of Large Amplitude Motions in the Proton Transfer Reaction H2 + H3+ <-> H5+ <-> H3+ + H2. International Symposium on Molecular Spectroscopy, Urbana-Champaign, IL, 06/2014
  • Investigation of Large-Amplitude Motions of H5+ in the Proton Transfer Reaction between H3+ andH2. International Symposium on Molecular Spectroscopy, Urbana-Champaign, IL, 06/2013
  • A Story of the Spectroscopy of H5+ (Invited). The Ohio State University, Physical Chemistry Student Lecture Series, Columbus, OH, 02/2013
  • Diffusion Monte Carlo Studies of the Ground-State Energetics and Structures of H5+ and Its Deuterated Isotopologues. International Symposium on Molecular Spectroscopy, Urbana-Champaign, IL, 06/2012
  • Chemistry of Gas Phase in the Universe and Formation of Interstellar Propylene (CH3CH=CH2) (Invited). The Ohio State University, Physical Chemistry Student Lecture Series, Columbus, OH, 10/2011