January 01, 2016 article Open access Comparing molecules and solids across structural and alchemical space Physical Chemistry Chemical Physics DOI: 10.1039/c6cp00415f Full text (OA) OpenAlex Authors 0 Author list not loaded yet. Cited by 5 stored of 820 Search Sort Most cited Newest Oldest Patent citations Title Any typearticle review book-chapter conference-paper preprint dissertation book dataset other Any fieldAgricultural and Biological Sciences Arts and Humanities Biochemistry, Genetics and Molecular Biology Business, Management and Accounting Chemical Engineering Chemistry Computer Science Decision Sciences Dentistry Earth and Planetary Sciences Economics, Econometrics and Finance Energy Engineering Environmental Science Health Professions Immunology and Microbiology Materials Science Mathematics Medicine Neuroscience Nursing Pharmacology, Toxicology and Pharmaceutics Physics and Astronomy Psychology Social Sciences Veterinary Open access Towards the design of artificial sensing materials via quantum-informed explainable AI 2026 Journal of Cheminformatics article Materials Science Machine Learning in Materials Science Open access 2 citations CREST—A program for the exploration of low-energy molecular chemical space 2024 The Journal of Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies Open access cited by 2 patents 573 citations Unraveling Crystallization Mechanisms and Electronic Structure of Phase‐Change Materials by Large‐Scale Ab Initio Simulations 2022 Advanced Materials article Materials Science Phase-change materials and chalcogenides Open access 56 citations Ab initio molecular dynamics and materials design for embedded phase-change memory 2021 npj Computational Materials article Materials Science Phase-change materials and chalcogenides Open access 70 citations Bonding similarities and differences between Y–Sb–Te and Sc–Sb–Te phase-change memory materials 2020 Journal of Materials Chemistry C article Materials Science Phase-change materials and chalcogenides Open access cited by 1 patent 37 citations 5 results References 0