खोज परिणाम - Zen, Andrea

The New Resonating Valence Bond Method for Ab-Initio Electronic Simulations द्वारा Sorella, Sandro, Zen, Andrea

पूर्ण पाठ प्राप्त करें

A brief introduction to the diffusion Monte Carlo method and the fixed-node approximation द्वारा Annarelli, Alfonso, Alfè, Dario, Zen, Andrea

पूर्ण पाठ प्राप्त करें

Unravelling H$_2$ chemisorption and physisorption on metal decorated graphene using quantum Monte Carlo द्वारा Al-Hamdani, Yasmine S., Zen, Andrea, Alfé, Dario

पूर्ण पाठ प्राप्त करें

Towards viable H$_2$ storage in Ca decorated low-dimensional materials with insights from reference quantum Monte Carlo द्वारा Al-Hamdani, Yasmine S., Alfè, Dario, Zen, Andrea

पूर्ण पाठ प्राप्त करें

Beyond single-reference fixed-node approximation in ab initio Diffusion Monte Carlo using antisymmetrized geminal power applied to systems with hundreds of electrons द्वारा Nakano, Kousuke, Sorella, Sandro, Alfè, Dario, Zen, Andrea

पूर्ण पाठ प्राप्त करें

Interaction between water and carbon nanostructures: How good are current density functional approximations? द्वारा Brandenburg, Jan Gerit, Zen, Andrea, Alfè, Dario, Michaelides, Angelos

पूर्ण पाठ प्राप्त करें

DMC-ICE13: ambient and high pressure polymorphs of ice from Diffusion Monte Carlo and Density Functional Theory द्वारा Della Pia, Flaviano, Zen, Andrea, Alfè, Dario, Michaelides, Angelos

पूर्ण पाठ प्राप्त करें

Mechanisms of adsorbing hydrogen gas on metal decorated graphene द्वारा Al-Hamdani, Yasmine S., Zen, Andrea, Michaelides, Angelos, Alfè, Dario

पूर्ण पाठ प्राप्त करें

How accurate are simulations and experiments for the lattice energies of molecular crystals? द्वारा Della Pia, Flaviano, Zen, Andrea, Alfè, Dario, Michaelides, Angelos

पूर्ण पाठ प्राप्त करें

Basis set incompleteness errors in fixed-node diffusion Monte Carlo calculations on non-covalent interactions द्वारा Nakano, Kousuke, Shi, Benjamin X., Alfè, Dario, Zen, Andrea

पूर्ण पाठ प्राप्त करें

Assessing the impact of nodal surface optimization in fixed-node diffusion Monte Carlo on non-covalent interactions द्वारा Nakano, Kousuke, Shi, Benjamin X., Alfè, Dario, Zen, Andrea

पूर्ण पाठ प्राप्त करें

Defect-Dependent Corrugation in Graphene द्वारा Thiemann, Fabian L., Rowe, Patrick, Zen, Andrea, Müller, Erich A., Michaelides, Angelos

पूर्ण पाठ प्राप्त करें

The first-principles phase diagram of monolayer nanoconfined water द्वारा Kapil, Venkat, Schran, Christoph, Zen, Andrea, Chen, Ji, Pickard, Chris J., Michaelides, Angelos

पूर्ण पाठ प्राप्त करें

On the increase of the melting temperature of water confined in one-dimensional nano-cavities द्वारा Della Pia, Flaviano, Zen, Andrea, Kapil, Venkat, Thiemann, Fabian L., Alfè, Dario, Michaelides, Angelos

पूर्ण पाठ प्राप्त करें

Accurate and efficient machine learning interatomic potentials for finite temperature modeling of molecular crystals द्वारा Della Pia, Flaviano, Shi, Benjamin X., Kapil, Venkat, Zen, Andrea, Alfè, Dario, Michaelides, Angelos

पूर्ण पाठ प्राप्त करें

Systematic discrepancies between reference methods for non-covalent interactions within the S66 dataset द्वारा Shi, Benjamin X., Della Pia, Flaviano, Al-Hamdani, Yasmine S., Michaelides, Angelos, Alfè, Dario, Zen, Andrea

पूर्ण पाठ प्राप्त करें

An accurate and efficient framework for modelling the surface chemistry of ionic materials द्वारा Shi, Benjamin X., Rosen, Andrew S., Schäfer, Tobias, Grüneis, Andreas, Kapil, Venkat, Zen, Andrea, Michaelides, Angelos

पूर्ण पाठ प्राप्त करें

Supporting data for "An accurate and efficient framework for modelling the surface chemistry of ionic materials" द्वारा Benjamin X. Shi, Rosen, Andrew S., Schäfer, Tobias, Grüneis, Andreas, Kapil, Venkat, Zen, Andrea, Michaelides, Angelos

पूर्ण पाठ प्राप्त करें

Hydration of NH$_4^+$ in Water: Bifurcated Hydrogen Bonding Structures and Fast Rotational Dynamics द्वारा Guo, Jianqing, Zhou, Liying, Zen, Andrea, Michaelides, Angelos, Wu, Xifan, Wang, Enge, Xu, Limei, Chen, Ji

पूर्ण पाठ प्राप्त करें

Cooperative CO$_2$ capture via oxalate formation on metal-decorated graphene द्वारा Popoola, Inioluwa Christianah, Shi, Benjamin Xu, Berger, Fabian, Zen, Andrea, Alfè, Dario, Michaelides, Angelos, Al-Hamdani, Yasmine S., .

पूर्ण पाठ प्राप्त करें