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Spotlights

Latest Publications

Blinking Feature Using CSS

Updates@QuantumSimm

A recent paper published in Rapid Communication in Mass Spectrometry

Two more papers are accepted in the Journal of mass spectrometry and Indian Journal of Advances in Chemical Science.

A new paper titled “An overview of conceptual-DFT based insights into global chemical reactivity of volatile sulfur compounds (VSCs)” is published in the Journal of Computational Toxicology.

CI-MS Reaction Rates and Journal Selection: Calculation of reaction rates compatible for PTR-MS and SIFT-MS instruments & journal selection…

Compute rate coefficients of ion-molecule reactions for Chemical Ionization Mass Spectrometry

Database for PTR-MS & SIFT-MS: Molecular properties of VOCs and python code to compute rate coefficients in ion-molecule reactions in mass spectrometry…

Database of molecular properties for Chemical Ionization Mass Spectrometry

Highlights

  • Mass Spectrometry

Thrive with QuantumSimm

12+

Publications

QuantumSimm is experiencing rapid growth, with 12+ papers published since 2023.
Our research output continues to expand at a remarkable pace.
This growth reflects our commitment to advancing the field.

5+

Collaborations

Since its inception, we’ve collaborated with over 5 research groups.
This has helped expand and enhance our research efforts.
Our partnerships continue to drive innovation and growth.

3+

Members

Our team has grown rapidly, with over 3+ new members joining.
We continue to expand as we push forward in our research.
The growth of our team strengthens our capabilities and impact.

Research | Share | Collaborate

QuantumSIMM presents exciting opportunities to tackle complex problems, foster innovation, and make groundbreaking discoveries by working in different disciplines, such as condensed matter physics, computational chemistry, mass spectrometry, food & flavor analysis, reaction kinetics, and materials.

Mass Spectrometry

Mass Spectrometry

We study ion Chemistry, ion-molecule reactions, molecular reactivity useful in CIMS by using quantum chemical calculations.

Food & Flavor

Flavor

Research in food and flavor focuses on understanding the chemical composition, sensory perception, and physiological effects of flavors on foods.

Materials

Materials

We employ popular electronic structure methods to simulate materials for chemical and physical properties of materials to better understand them.

Catalysts

Catalysts

We are particularly interested in applying DFT to understand reaction mechanisms, physical and chemical processes taking place at the surfaces, reaction barriers.

Computational Chemistry

Computational

To find geometrical structure, electronic properties, vibrational properties, spectroscopy, thermochemistry, along with many other reaction mechanisms.

Gas Sensor

Gas Sensing

We explore the phenomenon of gas adsorption on molecular surfaces, various types of interactions involved, adsorption energy, and conductivity in gas sensing.

Keep learning with QuantumSIMM

QuantumSIMM.blogs offers research-oriented valuable content for researchers from different disciplines, such as computational chemistry, mass spectrometry, food & flavor analysis, reaction kinetics, and materials.

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Collaborators

Discover Quantumsimm’s Expertise

Benefit from the insights of our seasoned researchers. Explore our extensive collection of peer-reviewed publications. Learn about our cutting-edge projects in progress. Gain a glimpse into our exciting research directions. Explore potential funding sources and collaborations. Discover additional resources and information tailored to your needs.

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Join QuantumSIMM

Collaborate to create a dynamic environment where creativity thrives, where insightful discussions spark novel perspectives, and where intellectual collisions ignite transformative insights.

Join QuantumSIMM

Collaborate to create a dynamic environment where creativity thrives, where insightful discussions spark novel perspectives, and where intellectual collisions ignite transformative insights

Work with us