| Deep learning for molecular design-a review of the state of the art |
54 |
| Decoupling segmental relaxation and ionic conductivity for lithium-ion polymer electrolytes |
36 |
| Energy-based descriptors to rapidly predict hydrogen storage in metal-organic frameworks |
34 |
| Li- and Mn-rich layered oxide cathode materials for lithium-ion batteries: a review from fundamentals to research progress and applications |
30 |
| Can machine learning identify the next high-temperature superconductor? Examining extrapolation performance for materials discovery |
26 |
| Deep learning for chemical reaction prediction |
23 |
| Polymeric ionic liquids for lithium-based rechargeable batteries |
23 |
| Cellulose nanocrystals in nanoarchitectonics - towards photonic functional materials |
14 |
| Enabling precision manufacturing of active pharmaceutical ingredients: workflow for seeded cooling continuous crystallisations |
13 |
| Synthesis, clustering-triggered emission, explosive detection and cell imaging of nonaromatic polyurethanes |
13 |
| Ion transport in polymeric ionic liquids: recent developments and open questions |
13 |
| Charging toward improved lithium-ion polymer electrolytes: exploiting synergistic experimental and computational approaches to facilitate materials design |
12 |
| Engineering of transition metal dichalcogenide-based 2D nanomaterials through doping for environmental applications |
12 |
| Challenges and for the utilisation of ionic liquids as solvents for CO2 capture |
11 |
| Ab initio screening of cation-exchanged zeolites for biofuel purification |
11 |
| Multivalent ion conduction in solid polymer systems |
11 |
| Study of segmental dynamics and ion transport in polymer-ceramic composite electrolytes by quasi-elastic neutron scattering |
11 |
| Soft material nanoarchitectonics at interfaces: molecular assembly, nanomaterial synthesis, and life control |
11 |
| Rational design of patchy colloids via landscape engineering |
10 |
| Nanoarchitectonics through supramolecular gelation: formation and switching of diverse nanostructures |
10 |
| Augmenting adaptive immunity: progress and challenges in the quantitative engineering and analysis of adaptive immune receptor repertoires |
10 |
| Catalytic single-chain polymeric nanoparticles at work: from ensemble towards single-particle kinetics |
10 |
| Identifying peptide sequences that can control the assembly of gold nanostructures |
9 |
| Layer-by-layer integration of conducting polymers and metal organic frameworks onto electrode surfaces: enhancement of the oxygen reduction reaction through electrocatalytic nanoarchitectonics |
9 |
| Cooperative effects of inorganic and organic structure-directing agents in ZSM-5 crystallization |
9 |
| Tuning chain interaction entropy in complex coacervation using polymer stiffness, architecture, and salt valency |
9 |
| Layer-by-layer assembly for photoelectrochemical nanoarchitectonics |
9 |
| Ion transport in hydroxide conducting block copolymers |
9 |
| Managing transport properties in composite electrodes/electrolytes for all-solid-state lithium-based batteries |
8 |
| COSMO-CAMPD: a framework for integrated design of molecules and processes based on COSMO-RS |
7 |
| Surface modification of a hole transporting layer for an efficient perovskite solar cell with an enhanced fill factor and stability |
7 |
| Covalent chemical functionalization of semiconducting layered chalcogenide nanosheets |
7 |
| Elastin-like polypeptides as building motifs toward designing functional nanobiomaterials |
7 |
| Morphological effects on polymeric mixed ionic/electronic conductors |
7 |
| Self assembled, sulfonated pentablock copolymer cation exchange coatings for membrane capacitive deionization |
7 |
| Computational transport analysis of antibody-drug conjugate bystander effects and payload tumoral distribution: implications for therapy |
7 |
| pH responsive glycopolymer nanoparticles for targeted delivery of anti-cancer drugs |
7 |
| Towards the high-throughput synthesis of bulk materials: thermoelectric PbTe-PbSe-SnTe-SnSe alloys |
6 |
| Design of solvent-free functional fluids via molecular nanoarchitectonics approaches |
6 |
| Photonic nanoarchitectonics with stimuli-responsive 2D materials |
6 |
| Programmable reactions and diffusion using DNA for pattern formation in hydrogel medium |
6 |
| Repertoire Builder: high-throughput structural modeling of B and T cell receptors |
6 |
| Molecular engineering of perovskite photodetectors: recent advances in materials and devices |
6 |
| Tuning the molecular weight distribution from atom transfer radical polymerization using deep reinforcement learning |
5 |
| Correlative analysis of metal organic framework structures through manifold learning of Hirshfeld surfaces |
5 |
| Computational screening, synthesis and testing of metal-organic frameworks with a bithiazole linker for carbon dioxide capture and its green conversion into cyclic carbonates |
5 |
| Effect of symmetric and asymmetric substitution on the optoelectronic properties of 10-dicyanoanthracene |
5 |
| Charge transfer dynamics in conjugated polymer/MoS2 organic/2D heterojunctions |
5 |
| Continuum models for directed self-assembly |
5 |
| A solution-processable dissymmetric porous organic cage |
5 |
