A day at Amazon Amsterdam
A visit to the Amazon office in Amsterdam, and knowledge to carry into upcoming ventures.
1 min read
Read the essay 
Dr. Ravindra Shinde
Computational physicist and quantum chemist at the University of Twente, building accurate, open, and scalable simulation methods and models for chemistry, physics, and materials science.
Featured Writing
All writing →
Key Scientific Research
Featured Publications
Photo-induced degradation of PFASs: Excited-state mechanisms from real-time time-dependent density functional theory
Journal of Hazardous Materials2021
We present the first study of photo-induced degradation of PFASs with RT-TDDFT methods. RT-TDDFT calculations show this process is highly selective towards C-F bond cleavage. RT-TDDFT is a new capability for probing photo-induced degradation of contaminants.
Fractional occupation numbers and self-interaction correction-scaling methods with the Fermi-Löwdin orbital self-interaction correction approach
Journal of Computational Chemistry2020
We present a new assessment of the Fermi-Löwdin orbital self-interaction correction (FLO-SIC) approach with an emphasis on its performance for predicting energies as a function of fractional occupation numbers (FONs) for various multielectron systems.
Real-time degradation dynamics of hydrated per- and polyfluoroalkyl substances (PFASs) in the presence of excess electrons
Physical Chemistry Chemical Physics2020
Using self-interaction-corrected Born-Oppenheimer molecular dynamics simulations, we provide the first real-time assessment of PFAS degradation in the presence of excess electrons.
Recent Tech Writing
Nothing here yet in this section.
75 million CPU hours on LUMI for quantum Monte Carlo forces
Our EuroHPC project, Learning from Quantum Monte Carlo Forces, has been awarded 75 million CPU hours on the LUMI supercomputer.
Dr. Ravindra Shinde · 1 min
Shifting sands of hardware and software in exascale simulations
Our Perspective in Nature Reviews Physics on how GPUs and heterogeneous architectures are changing software strategy for quantum mechanical simulations.
Dr. Ravindra Shinde · 1 min
The 2023 Nobel Prize in Physics: attosecond pulses of light
The 2023 Nobel Prize in Physics recognises experimental methods that generate attosecond pulses of light to study electron dynamics in matter.
Dr. Ravindra Shinde · 1 min
Chemistry World on our PFAS degradation simulations
Chemistry World covered our PCCP paper on how excess electrons degrade hydrated PFAS pollutants.
Dr. Ravindra Shinde · 1 min
New writing, by email.
An occasional note when I publish something new: research updates, essays on scientific computing, and thoughts on recent papers.