Chemical Space to Material Discovery: Simulations and Machine Learning Leading the Way
How astronomical is chemical space? Immensely so. How do we then discover & design the materials of tomorrow? Computation can give us a hand.
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How astronomical is chemical space? Immensely so. How do we then discover & design the materials of tomorrow? Computation can give us a hand.
Read moreDive into the age-old debate: “Do we live in a simulation?” Explore experts’ views and join me as we weigh the arguments for and against.
Read moreChemical simulations as the third pillar of research and development? From atomistic insights to sustainability, explore 14 reasons why.
Read moreCan quantum simulations of the primordial soup finally crack the mother of all questions: How did Life come to be?
Read moreFrom today’s computers in chemistry to 4 future scenarios of scientific discovery: A post-vacation musing.
Read moreHow can we search through the 10^100 permutations of battery materials? The answer lies in computer-aided next-generation battery design.
Read moreMultiscale simulations of DNA to tackle a challenge of epic proportions: Embark on a computational journey into the essence of our being.
Read moreShort answer: yes, we do need quantum computing in chemical R&D. The Long answer is what this story is about.
Read moreWhen you really get down to it, all living things, including humans, are just excitations of the quantum fields. Ergo quantum biology.
Read moreThe computational design of MOFs to improve stability, mechanical properties, and catalytic capabilities can help save the planet.
Read moreWhat started this whole chemical shebang that we call nature? Quantum nanoreactor simulations of the early universe try to answer.
Read moreYou wake up and brew yourself a refreshing cup of coffee. Your calendar says it’s 2043. Time to run your daily computational chemistry simulations.
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