So you are looking to digitalize some aspects of your materials R&D, and you know that molecular dynamics, or MD for short, is one approach. But what are its strengths and weaknesses and which variant should you turn to? In this text I will give you a brief primer. What is Molecular Dynamics? Molecular…
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If you work in battery electrolyte R&D, chances are you have seen results in the lab, or even in computer simulations, that beg for explanations that are not forthcoming from available data. If you could understand the origin of an electrolyte formulation’s high or low rate capability, electrochemical stability, ionic conductivity or electrode wettability, you…
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When we look back to the technological revolutions of the 20th century, most of the life changing technologies were very concretely physical: Electrical power generation and grids, trains and railways, antibiotics and vaccines, automobiles and airplanes, etc. As the century progressed and turned, however, the card-carrying innovations turned distinctly more virtual. While the telegraph, telephone,…
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As a CTO in materials informatics, I have kept track of recent AI developments, even though our own solutions are more based on physics and good old-fashioned statistics than the large language models (LLMs) and multimodal models that have made so many recent headlines. A year ago, my attention on AI developments was mostly driven…
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Digitalization is revolutionizing materials R&D, yet many companies are unsure how to harness its power to enhance their products. Molecular dynamics offers invaluable insights into properties that influence the performance of materials and products. But what if your company lacks in-house expertise? Can you still reap the benefits? Traditionally, R&D managers and computational scientists might…
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