101 quantum chemistry, how to start

Among the potential uses of optic hardware and quantum computing, there is chemical simulation. Being exponentially faster than their classical counterparts, quantum computing gives hope about drug development and other chemical processes. This article is not for experienced quantum researchers. It is an introduction to motivate boys and girls to this field. To avoid information overload, circuit design is not covered here. If you are interested in this click the reference link at the bottom.

Let’s start: the starting point to quantum chemistry and drug development is the variational quantum eigensolver (VQE). In practice, VQE is a hybrid algorithm (partially…

Useful things beyond the two hypes

A recent controversial paper tried to define a new formalism for deep learning in terms of quantum fields. Indeed, qubits are described naively as a state between zero and one, and each node of a neural network, similarly is a value between zero and one meaning probability or something alike. It is intuitive to imagine an overlap. Both topics have been overly boosted by (unmotivated?) hype, though they are both useful technologies. Beyond the hype(s), there might be some opportunities combining the two approaches.

Indeed, the idea is not new, and several authors have already tried to reframe existing machine…

More Machine learning and less chunky hardware

We all have seen this year the video on YouTube with Elon Musk the alive pig the brain implant connected to a computer. One of the speculations was that “it will create super-cognition” (whatever that means). Despite being more on the side of science-fiction and borderline with ethical approvals, everybody was talking about it.

In all this hype (more due to the figure of Elon Musk than real science), most of the people neglected two things: The annual Brain Computer Interface Award where scientists compete with their latest advancements in this topic, and the many startups which are actually creating…

Current state-of-art tools putting together quantum physics and artificial intelligence

Data science and machine learning are definitely among the buzz words nowadays. At startup competitions and conferences I have seen too much. AI-trained beer draft to give you the perfect taste, plastic bag with sensor training IoT systems based on machine learning on how much people swing them, toilets with machine learning based system to optimize lights usage. Seriously? Is this innovation?

Either people just put this technology anywhere to sound cool, or machine learning is the “new electricity” and therefore there is nothing cool anymore about it.

About 10–15…

Thoughts and Theory

How quantum computing is holding the promise to develop drugs for neurodegenerative diseases and more

Computational methods for drug design have been investigated for many years. One critical aspect of drug design is to infer or predict the folding of proteins, which will lead to identifying how proteins interact with each other. For instance, most neurodegenerative diseases are based on misfolded proteins which spread through the brain, designing the complementary proteins which will block them holds the promise to treatments.

even if you are not physicist

“Nature isn’t classical, dammit, and if you want to make a simulation of nature, you’d better make it quantum mechanical. “

Richard Feynman

Quantum computing will be the future in computing at least in some fields as chemistry simulation and options prediction. Everybody should be able to access it, independently from the geographical location, gender, educational level, etc.

Geography inclusion: Quantum computers are not cheap at the moment (we talk about 15 millions USD investments) without mentioning the knowledge to set it up, but you can start using a quantum computer through cloud platforms…

Practical Quantum Computing AWS Braket 101

This story is about geographical and social inclusion!

Geography inclusion: Quantum computers are not cheap at the moment (we talk about 15 millions USD investments) without mentioning the knowledge to set it up. The good news is that anyone in the globe can start using a quantum computer through cloud platforms. So, it doesn’t matter if you live in Norway, US, Peru, or Botswana. As long as you have internet access you can run programs on quantum circuit. Unfortunately, they are not totally free but they are at accessible prices (e.g. 0.3 USD per run).

Social inclusion: In this article…

data engineering of the future, especially for designing drugs for neurodegenerative diseases

Microsoft Azure, often just called Azure is the cloud computing service created by Microsoft. Following the current excitement about quantum computing, Microsoft has launched its own solution on the cloud specific for quantum computing, similarly to what announced by Xanadu. The fact that a large company is providing services for this future/current new technology is a good sign indeed.


Many computational problem as the molecular Hamiltonian can be solved by this approach. …

Yes, it is finally time to use PySpark for medical imaging

Nowadays, due to increase of resolution, magnetic field strength, consortia, and infrastructures also neuroimaging data are big data. Indeed, a large amount of 3D and 4D images are acquired daily with several medical imaging modalities. Several dataset are publicly available with thousands of files, just to mention a few:

Those datasets comprise functional, structural, diffusion, demographics, and other informations, which are increasing every day creating the need to speed up processing with distributed and parallel systems. Among the image modalities, functional magnetic resonance imaging (fMRI) is…

Dr. Alessandro Crimi

Researcher, Lecturer, and founder of www.yawlab.io Interested in biotech, medicine, cooperation, education and entrepreneurship, also in low-income countries.

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