Molecular Modelling and Computer Simulation Group - MolMod-CS

Molecular Modelling and Computer Simulation Group - MolMod-CS MolMod-CS was founded in 2009 by Prof. Luciano T. Costa and Nelson Silveira, at UNIFAL-MG. Andrew Paluch).

Today we have the group branched at UFF and also Miami University (Prof. We are interested computational chemistry techniques like DFT, MD, QMMM.

Cientistas do Instituto de Química (IQ) da Unicamp exploram o potencial das chamadas tecnologias facilitadoras na síntes...
08/09/2026

Cientistas do Instituto de Química (IQ) da Unicamp exploram o potencial das chamadas tecnologias facilitadoras na síntese de moléculas orgânicas. Essas inovações proporcionam maior controle, eficiência, segurança e sustentabilidade difíceis de atingir por vias convencionais, como o chamado “processo em batelada”.

Liderada pelo professor Julio Cezar Pastre, a equipe aposta em técnicas como o fluxo contínuo e a mecanoquímica. Ao trocar reatores tradicionais por microrreatores com luz de LED e moinhos de impacto sem solventes, por exemplo, o grupo reduziu o tempo de reações de cinco horas para até 15 minutos, com alta seletividade.

Os avanços desempenham um importante papel para a indústria farmacêutica, setor em que os solventes geram 80% dos resíduos. Alinhada à química verde, a estratégia viabiliza matérias-primas para medicamentos a partir de biomassas renováveis, reduzindo danos ambientais e a dependência de insumos fósseis.

Confira a reportagem completa no Jornal da Unicamp.

Pesquisadores desenvolvem processos mais rápidos e sustentáveis para a síntese de compostos usados na indústria farmacêutica, com menos resíduos e solventes

How the Advanced Light Source Is Accelerating Our Quantum Future - https://physics.mit.edu/?p=25308
08/09/2026

How the Advanced Light Source Is Accelerating Our Quantum Future - https://physics.mit.edu/?p=25308

For more than three decades, the Advanced Light Source (ALS), a DOE Office of Science user facility at Lawrence Berkeley National Laboratory (Berkeley Lab), has helped scientists from all over the world advance their understanding of quantum materials — solids whose electrons interact so strongly...

MIT Quantum Initiative launches postdoctoral fellowship program - https://physics.mit.edu/?p=25323
08/09/2026

MIT Quantum Initiative launches postdoctoral fellowship program - https://physics.mit.edu/?p=25323

The MIT Quantum Initiative (QMIT) has launched a new postdoctoral fellowship program to accelerate interdisciplinary quantum research and develop the next generation of scientific leaders working at the frontiers of quantum science and technology. Supported by a grant from the Gordon and Betty Moor...

Danijar Hafner has a startup in stealth and a long track record of teaching AI agents about our world.
08/09/2026

Danijar Hafner has a startup in stealth and a long track record of teaching AI agents about our world.

The first compound to block a key copper transport system, MKV3, made MRSA significantly more susceptible to copper and ...
08/09/2026

The first compound to block a key copper transport system, MKV3, made MRSA significantly more susceptible to copper and increased copper-driven cell death in cultured cancer cells. How far this early-stage approach can go still needs more testing.

University of Missouri researchers have discovered a new way to harness one of the body's natural defenses: copper. While copper is essential for life and helps power important biological processes, having too much of it can be toxic. To keep copper levels in balance, cells rely on specialized prote...

08/09/2026

Doctors told Noa Greenwood's family that she wasn't expected to live past age ten. This new biotech changed that, and opened the doors to a whole new wave of medical funding, treatment, and care.

We made this video in partnership with BridgeBio.

Ring-shaped degradable polymers matched PLA’s oxygen-blocking performance while proving substantially tougher and more d...
08/09/2026

Ring-shaped degradable polymers matched PLA’s oxygen-blocking performance while proving substantially tougher and more ductile. The materials are not yet ready for packaging, and film processing and recycling tests still need to come next.

What if the key to making stronger, more sustainable plastics isn't changing their ingredients, but rearranging their molecules? Virginia Tech researchers have put that idea to the test, creating degradable polymers with a new molecular architecture that combines properties often difficult to achiev...

A common blue pigment converted CO₂ directly into methane in one electrochemical step, reaching 79.5% methane efficiency...
08/09/2026

A common blue pigment converted CO₂ directly into methane in one electrochemical step, reaching 79.5% methane efficiency and staying above 60% selectivity for about 80 hours. Why it favors methane over other products is not fully settled, though calculations suggest a lower-energy pathway.

On the cover of this week's issue: "Atomic-Scale Visualization of Vacancy-Ordered Intermediates and Pathway Selection in...
08/09/2026

On the cover of this week's issue: "Atomic-Scale Visualization of Vacancy-Ordered Intermediates and Pathway Selection in the Perovskite-Infinite-Layer Transformation"

Read it here 🔗 https://go.acs.org/eEg

08/09/2026

How can we tell if extreme weather events like this summer's heatwaves are caused by ?

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