Publications


Submitted papers and preprints

2017

22. E. Schuyler-Fried, N. P. D. Sawaya, Y. Cao, I. D. Kivlichan, J. Romero and A. Aspuru-Guzik. "qTorch: The Quantum Tensor Contraction Handler".  arXiV:1709.03636 (2017). [Link]

21. J. Olson, Y. Cao, J. Romero, P. Johnson, P-L Dallaire-Demers, N. Sawaya, P. Narang, I. Kivlichan, M. Wasielewski and A. Aspuru-Guzik "Quantum information and computation for chemistry".  arXiV:1706.05413 (2017). [Link]

20.
  J. Romero, R. Babbush, 
J. R. McClean, C. Hempel, P. Love and A. Aspuru-Guzik "Strategies for quantum computing molecular energies using the unitary coupled cluster ansatz".  arXiV:1701.02691 (2017). [Link]

19.  J. Romero, J. Olson and A. Aspuru-Guzik. "Quantum autoencoders for efficient compression of quantum data". Quantum Sci. Technol. 2, 045001, (2017). [Link]
2016

18.  L. M.  Pedraza-González, J. Romero, J. Alí-Torres and A. Reyes"Prediction of proton affinities of organic molecules with the Any-Particle Molecular-Orbital second-order proton propagator approach". Phys. Chem. Chem. Phys. 
Communication18, 27185 (2016)[Link]

17.  Y. Tsukamoto, Y. Ikabata, J. Romero, A. Reyes and H. Nakai "Divide-and-conquer second-order proton propagator method based on nuclear orbital plus molecular orbital theory for the efficient computation of proton binding energies". Phys. Chem. Chem. Phys.  18, 27422 (2016)[Link]

16.  P. J. J. O'Malley, R. Babbush, I. D. Kivlichan, J. Romero, J. R. McClean, R. Barends, J. Kelly, P. Roushan, A. Tranter, N. Ding, B. Campbell, Y. Chen, Z. Chen, B. Chiaro, A. Dunsworth, A. G. Fowler, E. Jeffrey, A. Megrant, J. Y. Mutus, C. Neill, C. Quintana, D. Sank, A. Vainsencher, J. Wenner, T. C. White, P. V. Coveney, P. J. Love, H. Neven, A. Aspuru-Guzik, J. M. Martinis. "Scalable simulation of molecular energies". Phys. Rev. X. 6, 031007 (2016). [Link]

15.  J. R. McClean, J. Romero, R. Babbush and A. Aspuru-Guzik "The theory of variational hybrid quantum-classical algorithms". New. J. Phys. 18, 023023 (2016). [Link]

2014

14.  J. Romero, J. Charry,  R. Flores-Moreno, M. T. do N. Varella and A. Reyes. "Calculation of positron binding energies using the generalized any particle propagator theory". J. Chem. Phys., 141, 114103 (2014). [Link]


13.  J. Charry, J. Romero, M. T. do N. Varella and A. Reyes. "Calculation of positron binding energies of aminoacids with the any-particle molecular orbital approach"
. Phys. Rev. A. 89, 052709, (2014)

12.  J. Romero, J. Charry, H. Nakai and A. Reyes. "Improving quasiparticle second ord
er electron propagator calculations
 with 
the spin-component-scaled technique"Chem. Phys. Lett. 591, 82 (2014)[Link]


11.  S. Pan, D. Moreno, J. L. Cabellos, J. Romero, A. Reyes, G. Merino and P. K. Chattaraj. “In quest of the Strongest Be-Ng Bonds among the Neutral Ng-Be Complexes”. J. Phys. Chem. A. 118, 487, (2014). [Link]  

10. J. Romero, A. Restrepo and A. Reyes. "Solvent isotope effects on the hydration of alkaline cations: H/D isotope effects on electrostatic interactions". Mol. Phys. 112, 514 (2014) [Link]





2013

9. S. Pan, J. Said, J. Romero, A. Reyes, G. Merino and P. K. Chattaraj. "Attractive Xe-Li Interaction in Li-Decorated Clusters". Comp. Theor. Chem.  1021, 62, (2013). [Link]

8. R. Flores-Moreno, E. F. Posada, F. Moncada, J. Romero, J. Charry, M. Díaz-Tinoco, S. A. Gonzalez, N. F. Aguirre and A. Reyes. "LOWDIN: The Any Particle Molecular Orbital Code".  Int. J. Quantum Chem. 114, 50 (2013). [Link]

7. M. Díaz-Tinoco, J. Romero, J. V. Ortiz, A. Reyes and R. Flores-Moreno. "A generalized any particle propagator theory: prediction of proton affinities and acidity properties with the proton propagator". J. Chem. Phys. 138, 194108 (2013). [Link]

6. J. D. Gonzales, E. Florez, J. Romero, A. Reyes and A. Restrepo. "Microsolvation of Mg2+ and Ca2+: strong influence of formal charges in hydrogen bonding networks". J. Mol. Model. 19, 1763 (2013). [Link]

5. S. Pan, M. Contreras, J. Romero, A. Reyes, G. Merino and P. K. Chattaraj. "C5Li7+ and O2Li5+ as Noble Gas Trapping Agents". Chem. Eur. J. 17, 2322 (2013). [Link]

4. F. Moncada, L. Uribe, J. Romero and A. Reyes. "Hydrogen isotope effects on covalent and non-covalent interactions: the case of protonated rare gas clusters"Int. J. Quantum Chem. 1131556 (2013)[Link]

2010-2012

3J. Romero, E. F. Posada, R. Flores-Moreno and A. Reyes. "A generalized any particle propagator theory: assessment of nuclear quantum effects on electron propagator calculations". J. Chem. Phys, 137, 074105 (2012). [Link]

2. J. Romero, A. Reyes, J. David and A. Restrepo. "Understanding Microsolvation of Li+: Structural and Energetical Analyses". Phys. Chem. Chem. Phys. 13, 15264 (2011). [Link]

1. J. Romero, A. Reyes and J. Wist. "Secondary Deuterium Isotope Effects on the Acidity of Glycine". Spectrochim. Acta. Part A. 77, 845 (2010). [Link]
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