Chris J. Pickard

Building a Physics-Aware AI Ecosystem for Solid-State Hydrogen Storage Materials

Seong‐Hoon Jang, Yiwen Yao, Chuanyu Liu, Linda Zhang et autres

jp, sg, us, nl, by, it, gb, cn, kr, de, id, gr, hk, ca, dk, au, ch, ph (code pays fourni par la source)

First-principles evidence for conventional superconductivity in a quasicrystal approximant

Anonymous, Roman Lucrezi, Sangmin Lee, Lucy Nathwani et autres

at, se, us, jp, gb (code pays fourni par la source)

Competing hydrogenation pathways to metastable CaH6 revealed by machine learning potential molecular dynamics

Anonymous, Peter IC Cooke, Maélie Caussé, Hung Ba Tran et autres

jp, gb (code pays fourni par la source)

Competing hydrogenation pathways to metastable CaH 6 revealed by machine learning potential molecular dynamics

Anonymous, Peter I. C. Cooke, Maélie Caussé, Hung Ba Tran et autres

jp, gb (code pays fourni par la source)

Evaluating global optimization and generative methods for low-energy and diverse crystal structure prediction via two case studies

Sunggi An, Sungwon Kim, Jinyoung Ko, Juhwan Noh et autres

Author response for "Evaluating Global Optimization and Generative Methods for Low-Energy and Diverse Crystal Structure Prediction Via Two Case Studies"

Sunggi An, Sungwon Kim, Ko Jinyoung, Juhwan Noh et autres

How reproducible are first-principles simulations of liquid water?

Niamh ONeill, Benjamin X. Shi, William J. Baldwin, Albert P. Bartok et autres

How reproducible are first-principles simulations of liquid water?

Niamh ONeill, Benjamin X. Shi, William J. Baldwin, Albert P. Bartok et autres

de, us (code pays fourni par la source)

Benchmarking empirical and machine-learned interatomic potentials using phase diagram predictions for Lead

Tom Hellyar, Pascal T. Salzbrenner, Peter I. C. Cooke, Chris J. Pickard et autres

Benchmarking empirical and machine-learned interatomic potentials using phase diagram predictions for Lead

Tom Hellyar, Pascal T. Salzbrenner, Peter I. C. Cooke, Chris J. Pickard et autres

Building a physics-aware AI ecosystem for solid-state hydrogen storage materials

Seong‐Hoon Jang, Yiwen Yao, Chuanyu Liu, Linda Zhang et autres

jp, sg, us, nl, it, ch, gb, cn, kr, no, de, be, gr, hk, ca, dk, au (code pays fourni par la source)

Experimental evidence of the mixed-coordinated rhombohedral phase in magnesium fluoride under high pressure

Tianheng Huang, Zhongwei Zhang, Cong Liu, Chi Ding et autres