This is a selection of the most representative publications of my research interests nowadays:

J.-P. Crusius, R. Hellmann, J. C. Castro-Palacio, and V. Vesovic, “Ab initio intermolecular potential energy surface for the CO2—N2 system and related thermophysical properties”, J. Chem. Phys. 148, 214306 (2018).

O. Denis-Alpizar, N. Inostroza, and J. C. Castro Palacio, “Rotational relaxation of CF^+ (X^1 Sigma) in collision with He (1^S)”, Monthly Notices of the Royal Astronomical Society, published online: 22 September 2017.

J. C. Castro-Palacio, R. Hellmann and V. Vesovic, “Dilute gas viscosity of n-alkanes represented by rigid Lennard-Jones chains”, Mol. Phys. 114, 21, (2016) 3171-3182.

O. T. Unke, J. C. Castro-Palacio, R. J. Bemish, and M. Meuwly, “Collision-induced rotational excitation in N+2 (2Σ+g, v = 0)–Ar: Comparison of computations and experiment”, J. Chem. Phys. 144, 224307 (2016).

L. Velazquez and J. C. Castro-Palacio, “Extended canonical Monte Carlo methods: Improving accuracy of microcanonical calculations using a re-weighting technique”, Phys. Rev. E 91, 033308 (2015).

J. C. Castro-Palacio, R. Bemish, and M.Meuwly, “Equilibrium Rate Coefficients from Atomistic Simulations: The O(3P)+NO(2Π) -> O2(X3Σg)+N(4S) Reaction at Temperatures Relevant to the Hypersonic Flight Regime”, J. Chem. Phys. 142, 091104 (2015).

J. C. Castro-Palacio, T. Nagy, and M. Meuwly, “Computational study of the O(3P) + NO(2π) reaction at temperatures relevant to the Hypersonic Flight Regime”, J. Chem. Phys. 141, 164319 (2014).

L. Velazquez and J. C. Castro-Palacio, “Improving the efficiency of Monte Carlo simulations of systems that undergo temperature-driven phase transitions”, Phys. Rev. E 88, 013311 (2013).

J. C. Castro-Palacio, L. Velázquez-Abad, M. Fernandez, J. Q. Cuador-Gil, “Molecular dynamics study of one dimensional nanoscale Si/SiO2 interfaces”, Eur. Phys. J. D 67 (2013) 101.

J. C. Castro-Palacio, F. Ayala, K. Ishii, J. Rubayo-Soneira, K. Yamashita, “Argon solid response upon Rydberg photoexcitation of the NO chromosphore: Case of using ab initio potential energy surfaces and comparison to similar studied systems”, J. Phys. Chem. A, 114, 9673 (2010).

J. C. Castro-Palacio, K. Ishii, J. Rubayo-Soneira, K. Yamashita, “An ab initio study of the Ar-NO (A²Σ+) intermolecular potential”, J. Chem. Phys, 131, 044506 (2009).

J. C. Castro Palacio, L. Velazquez, A. Lombardi, V. Aquilanti, J. Rubayo-Soneira. “Normal and hyperspherical mode analysis of NO doped Kr crystal upon Rydberg excitation of the impurity”, J. Chem. Phys. 126, 174701 (2007).