Lugar de publicación
- GBasis : A Python library for evaluating functions, functionals, and integrals expressed with Gaussian basis functions. 161(4). 2024
- Grid : A Python library for molecular integration, interpolation, differentiation, and more. 160(17). 2024
- The tale of HORTON: Lessons learned in a decade of scientific software development. 160(16). 2024
- Constrained iterative Hirshfeld charges: A variational approach. 156(19). 2022
- Semi-empirical quantum optics for mid-infrared molecular nanophotonics. 156(12). 2022
- Crystal growth of bcc titanium from the melt and interfacial properties: A molecular dynamics simulation study. 154(18). 2021
- A simple microswimmer model inspired by the general equation for nonequilibrium reversible-irreversible coupling. 152(19). 2020
- Communication: Photoinduced carbon dioxide binding with surface-functionalized silicon quantum dots. 148(14):1-6. 2018
- On interfacial properties of tetrahydrofuran: Atomistic and coarse-grained models from molecular dynamics simulation. 144(14):1-10. 2016
- Thermophysical properties of liquid Ni around the melting temperature from molecular dynamics simulation. 145(6):1-11. 2016
- On the phase and interface behavior along the three-phase line of ternary Lennard-Jones mixtures: A collaborative approach based on square gradient theory and molecular dynamics simulations. 141:1-12. 2014
- Perfect Wetting along a Three-Phase Line: Theory and Molecular Dynamics Simulations. 124:2445051-2445057. 2006
- Phase and Interface Behaviors in Type-I and Type-V Lennard-Jones Mixtures: Theory and Simulations. 123:034505-1-034505-10. 2005