Chengyu Fu

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Sat, 01 Jun 2030 13:00:00 +0000

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Scarcity Premium: How Anti-Corruption Campaigns Reprice Corporate Political Connections in China

Sat, 02 May 2026 00:00:00 +0000

Navigating Legal Fragmentation: How Subnational Legal Heterogeneity Shapes Foreign Direct Investment Location Choices

Sun, 05 Apr 2026 00:00:00 +0000

The Illusion of Foreign Capital: Estimating Round-Trip FDI in China using Firm-level Data

Thu, 02 Apr 2026 00:00:00 +0000

Gathering, Evaluating, and Aggregating Social Scientific Models

Fri, 02 Jan 2026 00:00:00 +0000

Fiscal Centralization and Firm Tax Burdens: Evidence from China's VAT Reform

Mon, 15 Sep 2025 00:00:00 +0000

Political Corruption and Voter Turnout: The Effects of Perception, Experience, and Purchases

Wed, 15 Nov 2023 00:00:00 +0000

PhD Position Available in LiPhy (Grenoble, France)

Mon, 10 Jul 2023 00:00:00 +0000

Scope. With the goal to reach carbon neutrality by 2050, direct air capture (DAC) of CO2 from wet flue gases is one brick of the carbon mitigation strategy – especially with the next generation of solid porous sorbents based on Metal-Organic Frameworks (MOF). While thermodynamics of the CO2 capture is well documented in the literature, little is known about molecular diffusion and transport properties in MOF angstropores (in particular, in the presence of environmental humidity). Also, diffusion through pore scales of the applicative sorbing medium, ranging from nanopores (pore diameter ~nm) to macropores (> 50 nm) and beyond remain open. In order to fill the gap and gain insight into multiscale transport properties and try to figure CO2 capture optimization through MOF based sorbents, we ambition to develop a multiscale approach based on a lattice model fed by molecular simulations.

In more detail, the objective of this PhD proposal is two-fold. i. Using molecular simulations [e.g. Magnin et al. J. Phys. Chem. C 2022], we aim to unravel the molecular phenomena that govern the thermodynamic and kinetic mechanisms when capturing CO2 using a multi-scale porous material. With this first aspect, we aim to rationalize the use of nanoporous materials for practical engineering processes by developing a robust and general methodology to link physico-chemical properties at different scales. ii. Using a bottom-up strategy, we will upscale the results obtained using atomistic simulations to mimic phase separation and transport of CO2/N2/H2O mixtures at the macroscale. To do so, a simple yet realistic lattice model [Botan et al. Phys. Rev. E 2015], which can be seen as a pore network model accounting for the change of the local thermodynamic/transport properties in a kinetic engineering process (e.g. Pressure Swing Adsorption), will be used.

Potential candidate. The PhD candidate should have a background in physics, physical chemistry/chemical physics or materials science. He/she should also have some experience in scientific programming and a background in statistical mechanics (including if possible Monte Carlo or/and Molecular Dynamics).

Practical aspects. The position is available starting January 2024 and lasts for 36 months. The PhD student will work under the supervision of Benoit Coasne/Simon Gravelle (LIPhy, Grenoble) and Yann Magnin (CSTJF, Pau). He/she will be located at LIPhy in Grenoble, France but several short stays in CSTJF in Pau, France will be planned. Applicants should provide a CV, a letter of motivation and the names and email addresses of 2 or 3 references to:

Yann Magnin (yann.magnin at totalenergies.com)
Benoit Coasne (benoit.coasne at univ-grenoble-alpes.fr)
Simon Gravelle (simon.gravelle at univ-grenoble-alpes.fr)

More information:

https://benoitcoasne.github.io/ (Coasne’s research group website)
https://www.yann-magnin.fr/ (research website)

I have obtained a position at French CNRS

Thu, 29 Jun 2023 00:00:00 +0000

In the continuity of my MSCA fellowship, I’ve been hired by the French CNRS (Section 11) as a tenured full time researcher at LIPhy (UGA).

The version 2.0 of LAMMPS tutorials has been released

Sun, 05 Feb 2023 00:00:00 +0000

The version 2.0 of LAMMPS tutorial has just been published, and offers:

a new structure with a sphinx template
tutorials are now written in rst format, instead of html, which should facilitate future collaborations
a gorgeous dark mode (for the tutorials, not yet for the index page)

The version 1.0 is still visible here, but is not maintained and some commands are likely to be obsolete.

New MSCA project NanoSep starting at UGA

Tue, 31 Jan 2023 00:00:00 +0000

After 2 great years at the ICP in Stuttgart, I am starting my own MSCA project (NanoSep) at LIPhy (UGA) in Benoit Coasne group.

The version 0.7 of MAICoS has been released

Thu, 12 Jan 2023 00:00:00 +0000

The version 0.7 of MAICoS has been released. It comes with:

an improved documentation with theory and tutorials
a ‘Jitter’ option to produce smooth density profiles
new modules for cylindrical and spherical geometries

Gender Norms and Firms' Corruption: Evidence from China

Sat, 19 Nov 2022 00:00:00 +0000

Hybrid nanoporous materials for the separation of fluid mixtures

Wed, 27 Apr 2016 00:00:00 +0000

Update will be posted here.

Mon, 01 Jan 0001 00:00:00 +0000

About Me

Mon, 01 Jan 0001 00:00:00 +0000

Tests