Alain Fuchs
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French chemistry professor
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Chemistry
Alain Fuchs's Degrees
- PhD Chemistry University of Strasbourg
Why Is Alain Fuchs Influential?
(Suggest an Edit or Addition)According to Wikipedia, Alain Fuchs is a Swiss-born French Doctor of Science and chemistry Professor, specialized in molecular simulation. He served as the president of Chimie ParisTech - PSL from 2006 to 2010. He has served as the president of the French National Centre for Scientific Research from 2010 to 2017. He became an Officer of the Legion of Honour in 2014.
Alain Fuchs's Published Works
Number of citations in a given year to any of this author's works
Total number of citations to an author for the works they published in a given year. This highlights publication of the most important work(s) by the author
Published Works
- Interplay between defects, disorder and flexibility in metal-organic frameworks. (2019) (271)
- Thermodynamics of guest-induced structural transitions in hybrid organic-inorganic frameworks. (2008) (268)
- Optimization of the anisotropic united atoms intermolecular potential for n-alkanes (2000) (239)
- Anisotropic elastic properties of flexible metal-organic frameworks: how soft are soft porous crystals? (2012) (217)
- Stress-Based Model for the Breathing of Metal-Organic Frameworks. (2010) (200)
- The Behavior of Flexible MIL-53(Al) upon CH4 and CO2 Adsorption (2010) (187)
- Adsorption of Guest Molecules in Zeolitic Materials: Computational Aspects (2001) (176)
- Breathing transitions in MIL-53(Al) metal-organic framework upon xenon adsorption. (2009) (168)
- Computational characterization and prediction of metal-organic framework properties (2015) (165)
- The effect of local defects on water adsorption in silicalite-1 zeolite: a joint experimental and molecular simulation study. (2007) (158)
- Prediction of breathing and gate-opening transitions upon binary mixture adsorption in metal-organic frameworks. (2009) (137)
- Structural transitions in MIL-53 (Cr): view from outside and inside. (2011) (134)
- Water condensation in hydrophobic nanopores. (2005) (133)
- Adsorption Deformation and Structural Transitions in Metal−Organic Frameworks: From the Unit Cell to the Crystal (2013) (130)
- New optimization method for intermolecular potentials: Optimization of a new anisotropic united atoms potential for olefins: Prediction of equilibrium properties (2003) (127)
- Metal-organic frameworks with wine-rack motif: what determines their flexibility and elastic properties? (2013) (125)
- Molecular simulation studies of water physisorption in zeolites. (2006) (123)
- Investigating the Pressure-Induced Amorphization of Zeolitic Imidazolate Framework ZIF-8: Mechanical Instability Due to Shear Mode Softening. (2013) (123)
- How can a hydrophobic MOF be water-unstable? Insight into the hydration mechanism of IRMOFs. (2012) (112)
- Thermodynamic methods and models to study flexible metal-organic frameworks. (2011) (104)
- A Simple Model for Predicting the Na+ Distribution in Anhydrous NaY and NaX Zeolites (2001) (102)
- What makes zeolitic imidazolate frameworks hydrophobic or hydrophilic? The impact of geometry and functionalization on water adsorption. (2014) (100)
- Prediction of thermodynamic derivative properties of fluids by Monte Carlo simulation (2001) (100)
- Thermodynamics of water intrusion in nanoporous hydrophobic solids. (2008) (97)
- Self-diffusion of n-alkanes in silicalite using molecular dynamics simulation: A comparison between rigid and flexible frameworks (2004) (83)
- Thermodynamic analysis of the breathing of amino-functionalized MIL-53(Al) upon CO2 adsorption (2011) (78)
- Water adsorption in hydrophobic MOF channels. (2010) (75)
- Fluid transport properties by equilibrium molecular dynamics. III. Evaluation of united atom interaction potential models for pure alkanes (2000) (74)
- Adsorption induced transitions in soft porous crystals: an osmotic potential approach to multistability and intermediate structures. (2013) (73)
- Mechanism of Breathing Transitions in Metal–Organic Frameworks (2011) (72)
- Monte Carlo simulation of branched alkanes and long chain n -alkanes with anisotropic united atoms intermolecular potential (2002) (68)
- Monte Carlo versus molecular dynamics simulations in heterogeneous systems: an application to the n-pentane liquid-vapor interface. (2004) (65)
- Computational Study of p-Xylene/m-Xylene Mixtures Adsorbed in NaY Zeolite (1998) (65)
- Distribution of Sodium Cations in Faujasite-Type Zeolite: A Canonical Parallel Tempering Simulation Study (2004) (64)
- MOLECULAR SIMULATION STUDY OF THE STRUCTURAL REARRANGEMENT OF METHANE ADSORBED IN ALUMINOPHOSPHATE ALPO4-5 (1996) (63)
- Double structural transition in hybrid material MIL-53 upon hydrocarbon adsorption: the thermodynamics behind the scenes. (2009) (63)
- Water nanodroplets confined in zeolite pores. (2009) (62)
- Direct Monte Carlo simulations of the equilibrium properties of n-pentane liquid-vapor interface (2002) (59)
- Grand canonical Monte Carlo simulations of adsorption of mixtures of xylene molecules in faujasite zeolites (1997) (59)
- Vapour-Liquid Phase Equilibria Predictions of Methane–Alkane Mixtures by Monte Carlo Simulation (1997) (57)
- Does Water Condense in Hydrophobic Cavities? A Molecular Simulation Study of Hydration in Heterogeneous Nanopores (2008) (56)
- From molecular clusters to bulk matter. I. Structure and thermodynamics of small CO2, N2, and SF6 clusters (1998) (55)
- Forced intrusion of water and aqueous solutions in microporous materials: from fundamental thermodynamics to energy storage devices. (2017) (55)
- Pressure-volume-temperature relations for crystalline benzene (1978) (53)
- Temperature-Induced Structural Transitions in the Gallium-Based MIL-53 Metal–Organic Framework (2013) (52)
- Derivation of an Optimized Potential Model for Phase Equilibria (OPPE) for Sulfides and Thiols (2000) (51)
- Molecular Simulation of p-Xylene and m-Xylene Adsorption in Y Zeolites. Single Components and Binary Mixtures Study (1999) (51)
- Structural transformation in (CO2)N clusters, N<100 (1996) (49)
- Adsorption of water in zeolite sodium-faujasite: A molecular simulation study (2005) (49)
- Water Adsorption in Flexible Gallium-Based MIL-53 Metal−Organic Framework (2014) (49)
- Grand Canonical Monte Carlo Simulations of Adsorption of Polar and Nonpolar Molecules in NaY Zeolite (1996) (48)
- Predicting mixture coadsorption in soft porous crystals: experimental and theoretical Study of CO2/CH4 in MIL-53(Al). (2012) (47)
- Evidence of a framework induced cation redistribution upon water adsorption in cobalt exchanged X faujasite zeolite: A joint experimental and simulation study (2011) (47)
- Fluid transport properties by equilibrium molecular dynamics. I. Methodology at extreme fluid states (1999) (46)
- Adsorption of n-alkanes in faujasite zeolites: molecular simulation study and experimental measurements (2006) (45)
- Fluid transport properties by equilibrium molecular dynamics. II. Multicomponent systems (1999) (45)
- Thermal expansion of benzene at high pressure determined by a calorimetric method, its behavior near melting (1978) (40)
- Thermal diffusion in alkane binary mixtures A molecular dynamics approach (1998) (37)
- Structural changes in nanoporous solids due to fluid adsorption: thermodynamic analysis and Monte Carlo simulations. (2008) (37)
- Rheology of model confined ultrathin fluid films. I. Statistical mechanics of the surface force apparatus experiments (1997) (36)
- A numerical evidence for nonframework cation redistribution upon water adsorption in faujasite zeolite. (2004) (36)
- Vapour-Liquid Phase Equilibria of n-alkanes by Direct Monte Carlo Simulations (2001) (35)
- Soret coefficient for liquid argon-krypton mixtures via equilibrium and nonequilibrium molecular dynamics: a comparison with experiments. (2002) (35)
- Monte Carlo simulation of a complex fluid confined to a pore with nanoscopically rough walls (2002) (35)
- Understanding the equilibrium ion exchange properties in faujasite zeolite from Monte Carlo simulations. (2011) (34)
- A molecular simulation study of the distribution of cation in zeolites (2008) (34)
- Unusual Hysteresis Loop in the Adsorption−Desorption of Water in NaY Zeolite at Very Low Pressure (2009) (33)
- Molecular simulation applied to fluid properties in the oil and gas industry (2007) (32)
- Understanding adsorption-induced structural transitions in metal-organic frameworks: from the unit cell to the crystal. (2012) (32)
- Impacts of the Imidazolate Linker Substitution (CH3, Cl, or Br) on the Structural and Adsorptive Properties of ZIF-8 (2018) (30)
- Glassy crystals. V : structural and dynamic studies of large amplitude molecular motions (1985) (30)
- Direct calculation of bubble points by Monte Carlo simulation (1999) (28)
- Molecular simulation of adsorption equilibria of xylene isomer mixtures in faujasite zeolites. A study of the cation exchange effect on adsorption selectivity (2001) (28)
- Structure and solvation forces in confined alkane films (2001) (28)
- Molecular dynamics simulation of the plastic to triclinic phase transition in clusters of SF6 (1988) (27)
- Vapour-liquid coexistence curves of the united-atom and anisotropic united-atom force fields for alkane mixtures (1999) (27)
- The Adsorption of Argon and Nitrogen in Silicalite-1 Zeolite: A Grand Canonical Monte-Carlo study (1996) (27)
- FROM MOLECULAR CLUSTERS TO BULK MATTER. II. CROSSOVER FROM ICOSAHEDRAL TO CRYSTALLINE STRUCTURES IN CO2 CLUSTERS (1999) (26)
- Understanding the Effect of Confinement on the Liquid−Gas Transition: A Study of Adsorption Isotherms in a Family of Metal−Organic Frameworks (2010) (25)
- Thermodynamic study of water confinement in hydrophobic zeolites by Monte Carlo simulations (2009) (25)
- On the use of the IAST method for gas separation studies in porous materials with gate-opening behavior (2018) (24)
- Prediction of Fluid Mixture Transport Properties by Molecular Dynamics (1998) (24)
- Molecular Simulation of Vapour-Liquid Coexistence Curves for Hydrogen Sulfide-Alkane and Carbon Dioxide-Alkane Mixtures (1999) (24)
- Flexibility and disorder in metal-organic frameworks. (2016) (23)
- Cluster model for the monoclinic to cubic transition in SF6 clusters (1990) (23)
- Gibbs ensemble simulations of vapour—liquid phase equilibria of cyclic alkanes (1999) (22)
- Stick-slip phase transitions in confined solidlike films from an equilibrium perspective (1998) (22)
- Monte Carlo simulations of nanoconfined n-decane films (1999) (22)
- Identification of aromatic molecules in intermediate boiling crude oil fractions by 2D n.m.r. spectroscopy (1991) (21)
- On the role of the definition of potential models in Gibbs ensemble phase equilibria simulations of the H2S-pentane mixture (2000) (21)
- Structure and Dynamics of Simulated (SF6)N Clusters in the Size Range N=7-55 (1993) (21)
- Fluid phase transitions at chemically heterogeneous, nonplanar solid substrates: Surface versus confinement effects (2003) (21)
- Solvation Force and Confinement-Induced Phase Transitions of Model Ultra Thin Films (1996) (20)
- Softening upon Adsorption in Microporous Materials: A Counterintuitive Mechanical Response. (2015) (20)
- Hydrothermal Breakdown of Flexible Metal-Organic Frameworks: A Study by First-Principles Molecular Dynamics. (2015) (20)
- The temperature-size phase diagram of large SF6 clusters by computer simulation (1994) (19)
- Direct calculation of bubble points for alkane mixtures by molecular simulation (2001) (19)
- Placement of cations in NaX faujasite-type zeolite using (N,V,T) Monte Carlo simulations. (2001) (18)
- Crystalline thiophene. II: a comprehensive study of stable and metastable phases by means of heat capacity, thermally stimulated currents and raman spectroscopy measurements (1985) (17)
- A thermodynamic description of the adsorption-induced structural transitions in flexible MIL-53 metal-organic framework (2014) (16)
- Monte Carlo simulations of squalane in the Gibbs ensemble (1999) (16)
- Experiment and theory of low-pressure nitrogen adsorption in organic layers supported or grafted on inorganic adsorbents: toward a tool to characterize surfaces of hybrid organic/inorganic systems. (2012) (16)
- Structure of ultra-thin confined alkane films from Monte Carlo simulations (2002) (15)
- Pressure, Volume, and Temperature Calculations on an Indonesian Crude Oil Using Detailed NMR Analysis or a Predictive Method To Assess the Properties of the Heavy Fractions (1995) (15)
- Strong and fragile plastic crystals (1985) (15)
- Cation distribution in faujasite-type zeolites: A test of semi-empirical force fields for Na cations (2002) (14)
- Adsorption deformation of microporous composites. (2016) (13)
- Structure, Dynamics, and Thermodynamics of Intruded Electrolytes in ZIF-8 (2019) (13)
- Molecular dynamics study of the phase transitions in sulfur hexafluoride clusters of various size (1993) (13)
- Is There a Vacancy-Induced Premelting in a Molecular Crystal? (1992) (12)
- Toward an Accurate Modeling of the Water−Zeolite Interaction: Calibrating the DFT Approach (2010) (12)
- Heat capacity of benzil near its phase transition (1977) (12)
- Mechanism of water adsorption in the large pore form of the gallium-based MIL-53 metal-organic framework (2016) (11)
- Unexpected Si:Al effect on the binary mixtures liquid phase adsorption selectivities in faujasite zeolites. (2005) (11)
- Adsorption of Water and Aromatics in Faujasite Zeolites: A Molecular Simulation Study (2005) (11)
- Open questions on water confined in nanoporous materials (2021) (10)
- Fluids confined by nanopatterned substrates of low symmetry (2002) (10)
- Structural Changes in Nanoporous MFI Zeolites Induced by Tetrachloroethene Adsorption: A Joint Experimental and Simulation Study (2011) (10)
- Premelting in orientationally disordered molecular crystals. A re-appraisal (1992) (10)
- Grain boundary premelting in crystalline benzene as studied by proton N.M.R. (1990) (9)
- Melting of sulfur hexafluoride clusters by molecular dynamics simulation (1992) (9)
- Development and Application of Molecular Simulation Methods for the Screening of Industrial Zeolite Adsorbents (2006) (9)
- A new method for deriving atomic charges and dipoles for n, -alkanes: investigation of transferability and geometry dependence (1999) (9)
- Supplementary information Online monitoring of biofouling using coaxial stub resonator technique (2015) (9)
- Melting curve and pressure-volume-temperature data of liquid dimethyl sulfoxide up to 150 MPa (1980) (8)
- Comment on "Volume shrinkage of a metal-organic framework host induced by the dispersive attraction of guest gas molecules". (2014) (8)
- The hexagonal phase of sulfur hexafluoride by molecular dynamics simulation of free clusters (1992) (8)
- Molecular‐dynamics investigation of surface‐induced melting in sulfur hexafluoride (1993) (8)
- Determination of average molecular weights of high-boiling aromatic oil fractions by 13C and 1H nuclear magnetic resonance (1989) (8)
- Molecular Simulation of Adsorption of Guest Molecules in Zeolitic Materials: A Comparative Study of Intermolecular Potentials (2001) (8)
- Adsorption of Linear Alkanes in Zeolite Ferrierite from Molecular Simulations (2004) (7)
- Dynamic disorder in stable and metastable thiophene. - I. N. M. R. lineshape study and structurally based interpretations (1988) (7)
- Torsion-induced phase transitions in fluids confined between chemically decorated substrates. (2004) (6)
- Dynamic disorder in stable and metastable thiophene. - II. Non Lorentzian nuclear relaxation and glass transition (1989) (6)
- Adsorption of Various Hydrocarbons in Siliceous Zeolites: A Molecular Simulation Study (2005) (5)
- Molecular Simulation of a Zn–Triazamacrocyle Metal–Organic Frameworks Family with Extraframework Anions (2012) (5)
- Influence of defects on the water intrusion in silicalite-1 zeolite: confrontation of experimental and molecular simulation results (2008) (5)
- Glassy crystals. 2. Electron paramagnetic resonance study of molecular motions and free-radical diffusion near the glass transition in cycloalkanols: evidence for chemical diffusion (1984) (5)
- The Melting Phase Transition in Small Carbon Dioxide Clusters (1997) (5)
- Nanoscopic liquid bridges exposed to a torsional strain. (2003) (4)
- Thermodynamic study of water intrusion in hydrophobic zeolites by Monte Carlo simulations (2008) (4)
- Premelting, defects and self diffusion in molecular crystals (1988) (4)
- A model for the static friction behaviour of nanolubricated contacts (1998) (4)
- The Sites of Premelting in Organic Compounds (1991) (4)
- Structural characterization of a crude oil by one and two dimensional nuclear magnetic resonance spectroscopy (1992) (3)
- Structural properties of (SF6)13 and (SF655 clusters by molecular dynamics simulation (1993) (3)
- The phase transitions of sulphur hexafluoride by molecular dynamics simulation (1994) (3)
- Molecular relaxation and microstructures in glassy crystals (1988) (2)
- The phases and dynamics of succinonitrile : An NMR absorption line study (1990) (2)
- Molecular Simulations As a Tool for Predicting Phase Equilibria and Transport Properties of Fluids (1998) (2)
- A Molecular Dynamics Study of the Solid Phase Transition in Sulphur Hexafluoride Clusters (1992) (2)
- Thermodynamics of Molecular Reorientationally Disordered Phases at High Pressure (1979) (2)
- 16-O-03-Adsorption of xylene isomers and water in faujasites. A molecular simulation study (2001) (1)
- Glassy Crystals VI. Nitrogen-14 Quadrupole Resonance in Glassy Crystalline Thiazole (1986) (1)
- Surface melting of a molecular crystal by computer simulations (1993) (1)
- Molecular Simulation Studies of Water Physisorption in Zeolite. (2007) (1)
- Alchemical Osmostat for Monte Carlo Simulation: Sampling Aqueous Electrolyte Solution in Open Systems. (2023) (0)
- Hydrothermal and Mechanical Stability of Metal-Organic Frameworks (2013) (0)
- Dynamic disorder in stable and metastable thiophene (2007) (0)
- EQUATION OF STATE OF ORIENTATIONALLY DISORDERED SOLIDS AND INTERNAL PHONON RADIATION PRESSURE (1980) (0)
- Highly passivated silicon chips with micron aperture for the pA measurements of single ion channels (2008) (0)
- Adsorption-Induced Breathing transitions in Metal-Organic Frameworks (2013) (0)
- Thermally induced mixing of water dominated interstellar ices (2019) (0)
- Molecular dynamics simulation of the plastic to triclinic phase transition in clusters of SF 6 (2017) (0)
- eview omputational characterization and prediction of metal – organic ramework properties ranç (2015) (0)
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