| Theoretical Modelling of Functional Materials
|
2021 |
Weckhuysen, B. M. |
| Morphing Hard and Soft Bio-inspired Materials by Reaction-Transport Dynamics
|
2021 |
Kaplan, C. N. |
| Understanding Molecular Transport Mechanisms at Water-Membrane Interfaces
|
2021 |
Keten, S. |
| The Importance of Correctly Modeling Catalysis for Understanding Molecular Machines
|
2021 |
Astumian, R. D. |
| Synthesis Planning, Reaction Discovery, and Design of Chemical Systems Using Computers
|
2021 |
Grzybowski, B. A. |
| Emerging Biophysical Mechanism and Evolution: Synergistic Approaches to Predict Evolutionary Dynamics to Fight Drug Resistance
|
2021 |
Shakhnovich, E. I. |
| Towards In-Silico Design of Functional Materials
|
2021 |
Stanciakova, K. |
| Active Nematics at Interfaces and Surfaces
|
2021 |
Yeomans, J. M. |
| The Quest for Water Repellencies
|
2021 |
Mouterde, T. |
| Beyond the Physical Concepts: Computational Modelling in Fluorescence Nanoscopy
|
2021 |
Hell, S. W. |
| Computational Modelling Enables Robust Multidimensional Nanoscopy
|
2021 |
Lew, M. D. |
| On the Importance of New Computational Tools for the Construction of Functional Out-of-Equilibrium Reaction Networks
|
2021 |
Huck, W. T. S. |
| Simulation of Molecular Machines
|
2021 |
Hartke, B. |
| Cryo-EM Visualization of Macromolecular Structure and Dynamics
|
2021 |
Nogales, E. |
| Using Machine Learning to Learn Chemistry
|
2021 |
Martinez, T. J. |
| Artificial Intelligence and Chemistry
|
2021 |
Aspuru-Guzik, A. |
| Operando Modelling of Functional Nanoporous Materials
|
2021 |
Speybroeck, V. Van |
| Modelling Emergent Phenomenon Using Chemically Encoded Computations
|
2021 |
Cronin, L. |
| Modeling Metal–Organic Frameworks and Other Functional Materials with Electronic Structure Theories
|
2021 |
Gagliardi, L. |
| Water at Interfaces: Where Theory Needs to Meet Experiment
|
2021 |
Bonn, M. |
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