Funded PhD - multiscale electrochemical modeling
University College Dublin

See the full job description on jobRxiv: https://jobrxiv.org/job/university-college-dublin-27778-funded-phd-multiscale-electrochemical-modeling/

#battery #computationalfluiddynamics #electrochemistry #moleculardynamics #quantumchemistry #ScienceJobs #hiring #research
https://jobrxiv.org/job/university-college-dublin-27778-funded-phd-multiscale-electrochemical-modeling/?fsp_sid=10273

Molecular Physics Early Career Researcher Prize 2024 — the official profile article is now out! 🎉

The awarded paper focused on advanced quantum-chemical calculations for predicting bond lengths and vibrational frequencies — well outside my primary field of medicinal chemistry. I’m grateful this work has been recognised internationally. 💪

🔗 Profile: lnkd.in/dMWYe3qD
🔗 Paper: lnkd.in/eqPFKjQr
#MolecularPhysics #QuantumChemistry #EarlyCareerResearcher

New paper in Physical Chemistry Chemical Physics (RSC). The quantum-chemical analysis shows encouraging photodynamic behaviour and ROS-forming potential in metal–hemin systems.

https://doi.org/10.1039/D5CP03186A

#QuantumChemistry #Photochemistry #PDT #ComputationalChemistry #RSC

New preprint https://arxiv.org/abs/2511.06957

A #perspective discussing Moreau-Yosida (MY) techniques in #densityfunctionaltheory.
MY regularisation has enabled to import tools from #convexanalysis into #dft
providing a new mathematical understanding of the most important atomistic simulation approach
and new robust algorithms for Kohn-Sham #dft.

Thanks to my co-authors from the #hylleraas centre and #oslomet for insightful discussions.

#condensedmatter #quantumchemistry #numericalanalysis #dftk

In 2025, quantum computing is rapidly scaling up, bringing clearer architectures and a fierce push toward building logical qubits. Even though the NISQ era is still here, researchers are focused on boosting fidelity and managing the heavy error-correction demands that stand between today’s systems and real quantum advantage. #QuantumComputing #NISQ #TechLeadership #QuantumTech #QuantumChemistry #QAOA #FutureOfTech

http://learningbreeze.com/physics/the-quantum-reality-a-deep-dive-into-the-state-of-quantum-computing-in-2025/

https://technologiesinternetz.blogspot.com/2025/09/machine-learning-and-quantum-chemistry.html?m=1

Machine Learning and Quantum Chemistry Unite to Simulate Catalyst Dynamics

#quantumchemistry #machinelearning #ML

https://technologiesinternetz.blogspot.com/2025/09/machine-learning-and-quantum-chemistry.html?m=1

Machine Learning and Quantum Chemistry Unite to Simulate Catalyst Dynamics

#machinelearning #quantumchemistry #Ml

AI just designed a battery material that defies the laws of chemistry.

Researchers have used AI to design novel battery materials with the potential to dramatically improve energy storage. The discovery could lead to longer-lasting, faster-charging, and more sustainable batteries. Carnegie Mellon's artificial intelligence system created a completely new class of materials that shouldn't exist according to traditional chemistry rules, yet demonstrates extraordinary energy storage capabilities in laboratory tests. The AI-designed compounds combine incompatible elements in ways that human chemists dismissed as impossible, creating battery electrodes that maintain 99% capacity after 50,000 charge cycles. Most remarkably, these materials can charge to full capacity in under 30 seconds while storing 10 times more energy than conventional lithium-ion batteries. The breakthrough occurred when the AI ignored human chemical intuition and explored combinations that violate established bonding principles but work at the quantum level. This represents the first time artificial intelligence has discovered entirely new physical laws by designing materials that challenge our fundamental understanding of chemistry.

#AI #BatteryTech #EnergyStorage #MaterialsScience #AIBreakthrough #NextGenBatteries #QuantumChemistry #ChemistryRevolution #SustainableEnergy #CleanTech #FutureOfEnergy #Innovation #TechForGood #FastCharging #ElectricVehicles #RenewableEnergy #Research #CarnegieMellon #ScienceNews #ArtificialIntelligence

Chief Executive Officer
Quantum Biology Institute

The Quantum Biology Institute is looking for a Chief Executive Officer to work with the board in overseeing all operations and sustainably advancing i

See the full job description on jobRxiv: https://jobrxiv.org/job/quantum-biology-institute-27778-chief-executive-officer/

#quantumbiology #quantumchemistry #ScienceJobs #hiring #research
https://jobrxiv.org/job/quantum-biology-institute-27778-chief-executive-officer/?fsp_sid=1992

Chief Executive Officer
Quantum Biology Institute

The Quantum Biology Institute is looking for a Chief Executive Officer to work with the board in overseeing all operations and sustainably advancing i

See the full job description on jobRxiv: https://jobrxiv.org/job/quantum-biology-institute-27778-chief-executive-officer/

#quantumbiology #quantumchemistry #ScienceJobs #hiring #research
https://jobrxiv.org/job/quantum-biology-institute-27778-chief-executive-officer/?fsp_sid=1978