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A

Andrey G. Kalinichev

IMT Atlantique

48H指数
202论文数
1.0W被引数
收录论文 42
发表时间
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Atomistic modeling of phengite and molecular mechanisms of NH 4+ and K + diffusional mobility in its structure片状白云母的原子建模及其结构中NH 4+ 和K + 扩散迁移的分子机制
errApplied Clay Science
IF5.8
err2026-06-06
err0
errOAAI
errE.V. Tararushkin; A.A. Glushak; M.A. Rudmin; A.G. Kalinichev
err分享
err收藏
Molecular Insights into the Role of Kerogen in Retention of Geologically Sequestered CO₂ in Shale Formations during Leakage Scenarios页岩地层地质封存CO₂在泄漏场景下，干酪根在保留中的作用：分子层面的见解
errCarbon Capture Science & Technology
IF10.5
err2025-09-26
err0
errOAAI
errZikir A. Kemala; Manav Kakkanat; Andrey G. Kalinichev; Narasimhan Loganathan; Juliana Zaini; Malik M. Nauman; A. Ozgur Yazaydin
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err收藏
Structure and properties of thaumasite and its aqueous interfaces revealed by molecular dynamics simulations由分子动力学模拟揭示的thaumasite的结构和性质及其水界面
errCement and Concrete Research
IF13.1
err2025-06-05
err0
errOAAI
errE.V. Tararushkin; G.S. Smirnov; N.D. Kondratyuk; A.G. Kalinichev
err分享
err收藏
Investigating the effect of Cu2+sorption in montmorillonite using density functional theory and molecular dynamics simulations
errCOMPUTATIONAL MATERIALS SCIENCE
IF3.3
err2025-02-01
err0
errOAAI
errPedram, Yalda; Zhang, Yaoting; Briggs, Scott; Kim, Chang Seok; Brochard, Laurent; Kalinichev, Andrey G.; Beland, Laurent Karim
err分享
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Site-specific structure and energetics of uranyl adsorption at hydrated muscovite (001) surfaces probed by classical molecular dynamics simulations
errAPPLIED GEOCHEMISTRY
IF3.4
err2025-01-01
err0
errOAAI
errLoganathan, Narasimhan; Kalinichev, Andrey G.
err分享
err收藏
Molecular dynamics simulation of hydrocalumite as adsorbent for anionic radionuclides
errAPPLIED GEOCHEMISTRY
IF3.4
err2024-09-01
err0
errOAAI
errGlushak, Artem A.; Tararushkin, Evgeny V.; Smirnov, Grigory S.; Kalinichev, Andrey G.
err分享
err收藏
Interaction of Nitrite Ions with Hydrated Portlandite Surfaces: Atomistic Computer Simulation Study
errMATERIALS
IF3.2
err2023-07-16
err2
errOAAI
errTararushkin, Evgeny V.; Pisarev, Vasily V.; Kalinichev, Andrey G.
err分享
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Couette flow of pentane in clay nanopores: Molecular dynamics simulation
errJOURNAL OF MOLECULAR LIQUIDS
IF5.2
err2022-11-01
err9
PREAI
errPisarev, Vasily V.; Kalinichev, Andrey G.
err分享
err收藏
Atomistic simulations of ettringite and its aqueous interfaces: Structure and properties revisited with the modified ClayFF force field
errCEMENT AND CONCRETE RESEARCH
IF13.1
err2022-06-01
err23
errOAAI
errTararushkin, Evgeny V.; Pisarev, Vasily V.; Kalinichev, Andrey G.
err分享
err收藏
Deciphering the non-linear impact of Al on chemical durability of silicate glass
errACTA MATERIALIA
IF9.3
err2022-02-01
err24
errOAAI
errDamodaran, Kamalesh; Delaye, Jean-Marc; Kalinichev, Andrey G.; Gin, Stephane
err分享
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Advances in Clayff Molecular Simulation of Layered and Nanoporous Materials and Their Aqueous Interfaces层状和纳米多孔材料及其水相界面的Clayff分子模拟研究进展
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2021-07-22
err175
errOAAI
errCygan, Randall T.; Greathouse, Jeffery A.; Kalinichev, Andrey G.
err分享
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Direct Experimental Evidence of the Effects of Clay Particles' Basal-to-Lateral Surface Ratio on Methane and Carbon Dioxide Adsorption
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2021-05-20
err7
PREAI
errGrekov, Denys, I; Kalinichev, Andrey G.; Suzuki-Muresan, Tomo; Pre, Pascaline; Grambow, Bernd
err分享
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Molecular dynamics simulation of the interaction of uranium (VI) with the C-S-H phase of cement in the presence of gluconate
errAPPLIED GEOCHEMISTRY
IF3.4
err2020-02-01
err21
errOAAI
errAndroniuk, Iuliia; Kalinichev, Andrey G.
err分享
err收藏
Role of Cations in the Methane/Carbon Dioxide Partitioning in Nano- and Mesopores of Illite Using Constant Reservoir Composition Molecular Dynamics Simulation
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2020-01-08
err25
errOAAI
errLoganathan, Narasimhan; Yazaydin, A. Ozgur; Bowers, Geoffrey M.; Ngouana-Wakou, Brice F.; Kalinichev, Andrey G.; Kirkpatrick, R. James
err分享
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Structure of Hydrated Kaolinite Edge Surfaces: DFT Results and Further Development of the ClayFF Classical Force Field with Metal-O-H Angle Bending Terms水合高岭石边缘表面的结构: DFT结果和具有金属-o-h角弯曲项的ClayFF经典力场的进一步发展
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2019-03-18
err81
errOAAI
errPouvreau, Maxime; Greathouse, Jeffery A.; Cygan, Randall T.; Kalinichev, Andrey G.
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Competitive Adsorption of H2O and CO2 in 2-Dimensional Nanoconfinement: GCMD Simulations of Cs- and Ca-Hectorites
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2018-09-21
err19
errOAAI
errLoganathan, Narasimhan; Bowers, Geoffrey M.; Yazaydin, A. Ozgur; Kalinichev, Andrey G.; Kirkpatrick, R. James
err分享
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Clay Swelling in Dry Supercritical Carbon Dioxide: Effects of Interlayer Cations on the Structure, Dynamics, and Energetics of CO2 Intercalation Probed by XRD, NMR, and GCMD Simulations
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2018-02-20
err44
errOAAI
errLoganathan, Narasimhan; Bowers, Geoffrey M.; Yazaydin, A. Ozgur; Schaef, H. Todd; Loring, John S.; Kalinichev, Andrey G.; Kirkpatrick, R. James
err分享
err收藏
cemff: A force field database for cementitious materials including validations, applications and opportunitiescemff: 水泥材料的力场数据库，包括验证，应用和机会
errCEMENT AND CONCRETE RESEARCH
IF13.1
err2017-12-01
err202
errOAAI
errMishra, Ratan K.; Mohamed, Aslam Kunhi; Geissbuhler, David; Manzano, Hegoi; Jamil, Tariq; Shahsavari, Rouzbeh; Kalinichev, Andrey G.; Galmarini, Sandra; Tao, Lei; Heinz, Hendrik; Pellenq, Roland; van Duin, Adri C. T.; Parker, Stephen C.; Flatt, Robert J.; Bowen, Paul
err分享
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Molecular Dynamics Study of CO2 and H2O Intercalation in Smectite Clays: Effect of Temperature and Pressure on Interlayer Structure and Dynamics in Hectorite
errJOURNAL OF PHYSICAL CHEMISTRY C
IF3.2
err2017-10-25
err40
errOAAI
errLoganathan, Narasimhan; Yazaydin, A. Ozgur; Bowers, Geoffrey M.; Kalinichev, Andrey G.; Kirkpatrick, James
err分享
err收藏
Universality of hydrogen bond distributions in liquid and supercritical water
errJOURNAL OF MOLECULAR LIQUIDS
IF5.2
err2017-09-01
err27
errOAAI
errKalinichev, Andrey G.
err分享
err收藏

研究方向

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合作学者
合作期刊
A
Adri C. T. van Duin
H 指数: 114 · 论文数: 826
S
Stephen C. Parker
H 指数: 79 · 论文数: 572
R
R. James Kirkpatrick
H 指数: 77 · 论文数: 337
R
Robert J. Flatt
H 指数: 68 · 论文数: 320
H
Hendrik Heinz
H 指数: 59 · 论文数: 271
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