From Molecular Dynamics to Bayesian Optimization: Matteo Aldeghi on Cutting-Edge Molecular Design

From Molecular Dynamics to Bayesian Optimization: Matteo Aldeghi on Cutting-Edge Molecular Design

In this episode, we're joined by Matteo Aldegni, Director of Machine Learning Research at Bayer, where he leads a team specializing in Machine Learning applications for chemistry and drug discovery. Matteo delves into the intricacies of Molecular Dynamics, the cornerstone of computer-aided molecular design, shedding light on how it paved the way for modern Machine Learning techniques. From the innovative sampling methods inspired by Molecular Dynamics to the transformative potential of Bayesian optimization, Matteo provides insights into the cutting-edge advancements driving molecular design. Join us as we explore the intersection of first-principles molecular models and Machine Learning, as well as Matteo's vision for the future of molecular design, including the concept of self-driving laboratories and Machine Learning force fields.

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Jaksot(20)

Automating Scientific Discovery with MIT Professor Markus J. Buehler

Automating Scientific Discovery with MIT Professor Markus J. Buehler

In this episode of the Machines and Molecules podcast, host Marcus Bühler, the McAfee Professor of Engineering at MIT, discusses the principle of "adaptability" as the most important universal princip...

26 Helmi 43min

Chris Bahl on the Conundrum of Biotech Platforms

Chris Bahl on the Conundrum of Biotech Platforms

Chris Bahl is founder and CEO of AI Proteins. The conversation delves into the challenges faced by platform companies in the biotech sector, highlighting the financial pressures that lead to the cutti...

21 Marras 202533min

Pioneering Molecular Modeling: Victor Guallar’s Insights on Monte Carlo, AI, and Biophysics

Pioneering Molecular Modeling: Victor Guallar’s Insights on Monte Carlo, AI, and Biophysics

Victor Guallar is an ICREA Professor and group leader of the EAPM at the Barcelona Supercomputing Center and Co-Founder of Nostrum Biodiscovery. With a joint PhD from the Autonomous University of Barc...

11 Joulu 202432min

Building Bridges in Biotech: Markus Müller on CLIB’s Role in Creating a Collaborative and Connected Bioeconomy

Building Bridges in Biotech: Markus Müller on CLIB’s Role in Creating a Collaborative and Connected Bioeconomy

Markus Müller is an experienced project manager with expertise in biotechnology and bioeconomy, focused on bridging research and industry to advance sustainable bioprocesses. As Project Manager at CLI...

5 Marras 202435min

Accelerating AI Innovation: Laura Möller’s Mission to Shape the Startup Ecosystem and Foster Entrepreneurship in Academia.

Accelerating AI Innovation: Laura Möller’s Mission to Shape the Startup Ecosystem and Foster Entrepreneurship in Academia.

Laura Möller is a seasoned expert in venture capital and entrepreneurship, with a focus on artificial intelligence and technology transfer. She holds leadership roles as Director of the Künstliche Int...

10 Loka 202433min

Productizing Research Code: Martin Steinegger on how to create useful and reusable Software

Productizing Research Code: Martin Steinegger on how to create useful and reusable Software

Dr. Martin Steinegger is an expert in computational biology and bioinformatics, specializing in large-scale sequence data analysis. He earned his Ph.D. from the Technical University of Munich in colla...

6 Syys 202433min

Driving Innovation Forward: Carlos Härtel on Deep Tech Solutions and Market Adoption

Driving Innovation Forward: Carlos Härtel on Deep Tech Solutions and Market Adoption

In this episode we host Carlos Härtel, an expert in innovation and strategy within the applied sciences. Carlos holds a Habilitation in Mechanical Engineering from ETH Zürich and a PhD in Chemical Eng...

29 Heinä 202434min

AI Meets Protein Science: Dr. Stanislav Mazurenko on the Impact of Machine Learning in Protein Engineering

AI Meets Protein Science: Dr. Stanislav Mazurenko on the Impact of Machine Learning in Protein Engineering

In this episode, we are excited to host Dr. Stanislav Mazurenko, a leading expert in protein engineering and artificial intelligence. With a Ph.D. in applied mathematics and cybernetics from Lomonosov...

4 Heinä 202436min

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