Dr. Kuo Li visits the group

August 1, 2023 Dr. Kuo Li ( from Center for High Pressure Science and Technology Advanced Research, Beijing, China visited our group at DIPC July 31 - August 1. He gave a talk titled “Synthesis of the multi-dimensional nano-carbon materials and the reaction mechanisms” at DIPC on August 1.

Welcome summer intern - BRYAN ALEXIS MELO FLORES

July 3, 2023 BRYAN ALEXIS MELO FLORES, currently a Master student at University of Bacelona joins the group for 2-month summer research. Welcome!

Invited contribution and poster presentation by the group at ICQC 2023

July 1, 2023 The group attended the 17th International Congress of Quantum Chemistry (ICQC 2023) June 26 – July 1, 2023 in Bratislava, Slovakia. Bo Chen gave an invited contribution titled “The eXtreme Pressure-Polarizable Continuum Model (XP-PCM) and its applications to organic reactions under pressure”. Mohammed Loukili presented a poster titled “The effect of pressure on ethylene [2+2] cycloaddition”.

Keynote presentation at ICMRE 2023

June 07, 2023 Bo Chen gave an invited keynote presentation titled “A new computational method to apply pressure to molecular systems and its applications to high-pressure organic reactions” at the 6th International Conference on Matter and Radiation at Extremes (ICMRE 2023), held in Zhuhai, China.

Colloquium at HPSTAR Beijing

May 30, 2023 Bo Chen gave a colloquium talk titled “A new computational method to apply pressure to molecular systems and its applications to high-pressure organic reactions” at Center for High Pressure Science & Technology Advanced Research (HPSTAR). See a recording here:

Bo Chen joins the Editorial Board of The Innovation Materials

May 2, 2023 The Innovation Materials, a sister journal to The Innovation, aims to be an international platform that can accelerate and disseminate more innovative scientific discoveries as well as creative technological applications from the field of materials science. To see the unseen, The Innovation Materials will publish world-class, cutting-edge scientific research that can provide innovative and fundamental insights into the phenomena, mechanisms, structures, properties, and applications of emerging materials. To change the unchanged, The Innovation Materials will highlight the technological innovation in fabricating emerging materials and the materials’ innovation in developing leading-edge technologies. ... Read more …

Postdoc opening (CLOSED)

April 27, 2023 Designing (super)conducting nanothreads Nanothreads are novel one-dimensional carbon-based nanomaterials. One defining feature of nanothreads is the unique combination of extreme thinness (only a few Å in diameter) and rigidity (multiple covalent bonds connecting each unit). Functional groups can be introduced to nanothreads via proper choice of precursors or post-polymerization functionalization. The rigidity of nanothread backbone could allow desired alignment of functional groups in terms of order and spacing, which may open opportunities to many interesting applications. ... Read more …

Professor Roberto Cammi visits the group

March 24, 2023 Prof. Roberto Cammi ( from University of Parma, Italy visited our group at DIPC March 20-24. He is an expert on the PCM method and the orginator of the XP-PCM method. We are excited to have him here and happy about our continuous collaboration on exploring high-pressure reactions with the XP-PCM method.

Postdoc opening (CLOSED)

March 8, 2023 High-pressure computational organic chemistry Pressure is as fundamental as temperature to chemical reactivity. Understanding and controlling organic reactivity under pressure is essential in many areas of high-pressure research and industry, such as the Haber-Bosch process for nitrogen fixation (0.1 kbar; 1 kbar ≈ 1000 atm), prebiotic chemistry under pressure (<1 kbar), diamond synthesis (60 kbar), nanothread synthesis (200 kbar), and organic superconductor formation (>1000 kbar). A challenge in the computational study of high-pressure reactions is to properly incorporate the effect of pressure in electronic structure calculations. ... Read more …

Invited Talk at CMCC Mechanochemistry Discussions

November 17, 2022 Bo Chen gave an invited talk (online) titled “Pericyclic Reactions Under Pressure Studied by the Extreme Pressure-polarizable Continuum Model” at CMCC Mechanochemistry Discussions.