CV

Education

B.S. in GitHub, GitHub University, 2012
M.S. in Jekyll, GitHub University, 2014
Ph.D in Version Control Theory, GitHub University, 2018 (expected)

Work experience

Summer 2015: Research Assistant
- Github University
- Duties included: Tagging issues
- Supervisor: Professor Git
Fall 2015: Research Assistant
- Github University
- Duties included: Merging pull requests
- Supervisor: Professor Hub

Skills

Skill 1
Skill 2
- Sub-skill 2.1
- Sub-skill 2.2
- Sub-skill 2.3
Skill 3

Publications

1) Molecular interpretation of Trouton’s and Hildebrand’s rules for the entropy of vaporization of a liquid Permalink

J. A. Green, S. J. Irudayam, & R. H. Henchman, "Molecular interpretation of Trouton’s and Hildebrand’s rules for the entropy of vaporization of a liquid", J. Chem. Therm., 2011, 43, 868

2) Molecular binding in post Kohn–Sham orbital free DFT Permalink

A. Borgoo, J. A. Green, & D. J. Tozer, "Molecular Binding in Post-Kohn–Sham Orbital-Free DFT ", J. Chem. Theory Comput., 2014, 10, 5338

3) Benchmark calculation for tunnelling through a multidimensional asymmetric double well potential Permalink

J. A. Green & D. V. Shalashilin, "Benchmark calculation for tunnelling through a multidimensional asymmetric double well potential", Chem. Phys. Lett., 2015, 641, 173

4) A two-layer approach to the coupled coherent states method Permalink

J. A. Green, A. Grigolo, M. Ronto, & D. V. Shalashilin, "A two-layer approach to the coupled coherent states method", J. Chem. Phys., 2016, 144, 024111

5) Ultrafast photodissociation dynamics of 2-ethylpyrrole: adding insight to experiment with ab initio multiple cloning Permalink

J. A. Green, D. V. Makhov, N. C. Cole-Filipiak, C. Symonds, V. G. Stavros, & D. V. Shalashilin, "Ultrafast photodissociation dynamics of 2-ethylpyrrole: adding insight to experiment with ab initio multiple cloning", Phys. Chem. Chem. Phys., 2019, 21, 3832

6) Ultrafast photodissociation dynamics of pyrazole, imidazole and their deuterated derivatives using ab initio multiple cloning Permalink

C. Symonds, D. V. Makhov, N. C. Cole-Filipiak, J. A. Green, V. G. Stavros, & D. V. Shalashilin, "Ultrafast photodissociation dynamics of pyrazole, imidazole and their deuterated derivatives using ab initio multiple cloning", Phys. Chem. Chem. Phys., 2019, 21, 9987

7) Simulation of the quantum dynamics of indistinguishable bosons with the method of coupled coherent states Permalink

J. A. Green & D. V. Shalashilin, "Simulation of the quantum dynamics of indistinguishable bosons with the method of coupled coherent states", Phys. Rev. A, 2019, 100, 013607

8) Vibrations of the guanine–cytosine pair in chloroform: an anharmonic computational study Permalink

J. A. Green & R. Improta, "Vibrations of the guanine–cytosine pair in chloroform: an anharmonic computational study", Phys. Chem. Chem. Phys., 2020, 22, 5509

9) Excitonic model for strongly coupled multichromophoric systems: the electronic circular dichroism spectra of guanine quadruplexes as test cases Permalink

J. A. Green, H. Asha, F. Santoro, & R. Improta, "Excitonic model for strongly coupled multichromophoric systems: the electronic circular dichroism spectra of guanine quadruplexes as test cases", J. Chem. Theory. Comput., 2021, 17, 405

10) Quantum and semiclassical dynamical studies of nonadiabatic processes in solution: achievements and perspectives Permalink

F. Santoro, J. A. Green, L. Martinez-Fernandez, J. Cerezo, & R. Improta, "Quantum and semiclassical dynamical studies of nonadiabatic processes in solution: achievements and perspectives", Phys. Chem. Chem. Phys., 2021, 23, 8181

11) Nonadiabatic absorption spectra and ultrafast dynamics of DNA and RNA photoexcited nucleobases Permalink

J. A. Green, M. Yaghoubi Jouybari, D. Aranda, R. Improta, & F. Santoro, "Nonadiabatic absorption spectra and ultrafast dynamics of DNA and RNA photoexcited nucleobases", Molecules, 2021, 26, 1743

12) Fragment diabatization linear vibronic coupling model for quantum dynamics of multichromophoric systems: population of the charge-transfer state in the photoexcited guanine–cytosine pair Permalink

J. A. Green, M. Yaghoubi Jouybari, H. Asha, F. Santoro, & R. Improta, "Fragment diabatization linear vibronic coupling model for quantum dynamics of multichromophoric systems: population of the charge-transfer state in the photoexcited guanine–cytosine pair", J. Chem. Theory. Comput., 2021, 17, 4660

13) Electronic circular dichroism spectra of DNA quadruple helices studied by molecular dynamics simulations and excitonic calculations including charge transfer states Permalink

H. Asha, J. A. Green, L. Martinez-Fernandez, L. Esposito, & R. Improta, "Electronic circular dichroism spectra of DNA quadruple helices studied by molecular dynamics simulations and excitonic calculations including charge transfer states", Molecules, 2021, 26, 4789

14) The ultrafast quantum dynamics of photoexcited adenine-thymine basepair investigated with a fragment-based diabatisation and a linear vibronic coupling model Permalink

M. Yaghoubi Jouybari, J. A. Green, R. Improta, & F. Santoro, "The ultrafast quantum dynamics of photoexcited adenine-thymine basepair investigated with a fragment-based diabatisation and a linear vibronic coupling model", J. Phys. Chem. A, 2021, 125, 8912

15) How the interplay among conformational disorder, solvation, local, and charge-transfer excitations affects the absorption spectrum and photoinduced dynamics of perylene diimide dimers: A molecular dynamics/quantum vibronic approach. Permalink

A. Segalina, D. Aranda, J. A. Green, V. Cristino, S. Caramori, G. Prampolini, M. Pastore, & F. Santoro, "How the interplay among conformational disorder, solvation, local, and charge-transfer excitations affects the absorption spectrum and photoinduced dynamics of perylene diimide dimers: A molecular dynamics/quantum vibronic approach.", J. Chem. Theory Comput., 2022, 18, 3718

16) Solvent effects on ultrafast charge transfer population: insights from the quantum dynamics of guanine-cytosine in chloroform Permalink

J. A. Green, S. Gomez, G. A. Worth, F. Santoro, & R. Improta, "Solvent effects on ultrafast charge transfer population: insights from the quantum dynamics of guanine-cytosine in chloroform", Chem. Eur. J., 2022, 57, e202201731

17) Effect of the thermal fluctuations of the photophysics of GC and CG DNA steps: A computational dynamical study Permalink

H. Asha, J. A. Green, L. Esposito, L. Martinez-Fernandez, F. Santoro, & R. Improta, "Effect of the thermal fluctuations of the photophysics of GC and CG DNA steps: A computational dynamical study", J. Phys. Chem. B, 2022, 126, 10608

18) Computing the electronic circular dichroism spectrum of DNA quadruple helices of different topology: A critical test for a generalized excitonic model based on a fragment diabatization Permalink

H. Asha, J. A. Green, L. Esposito, F. Santoro, \& R. Improta, "Computing the electronic circular dichroism spectrum of DNA quadruple helices of different topology: A critical test for a generalized excitonic model based on a fragment diabatization", Chirality, 2023, 35, 298

James A. Green

CV