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P

Pavlin D. Mitev

Uppsala University

H指数:14

被引数:567

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CCS: A software framework to generate two-body potentials using Curvature Constrained Splines

COMPUTER PHYSICS COMMUNICATIONS

IF3.4

2021-01-014

PREAI

PiNN: A Python Library for Building Atomic Neural Networks of Molecules and Materials

PiNN: 用于构建分子和材料的原子神经网络的Python库

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2020-01-1456

OAAI

Fifty Shades of Water: Benchmarking DFT Functionals against Experimental Data for Ionic Crystalline Hydrates

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2018-10-3115

PREAI

Unravelling in-situ formation of highly active mixed metal oxide CuInO2 nanoparticles during CO2 electroreduction

在CO2电还原过程中解开高活性混合金属氧化物CuInO2纳米颗粒的原位形成

IF17.1

2018-07-0129

PREAI

Maximally resolved anharmonic OH vibrational spectrum of the water/ZnO(10(1)over-bar0) interface from a high-dimensional neural network potential

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2018-03-2731

PREAI

Hydrogen-Bond Relations for Surface OH Species

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2018-01-1112

PREAI

DFT-based Monte Carlo Simulations of Impurity Clustering at CeO2(111)

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2017-07-0711

OAAI

Comparing van der Waals DFT methods for water on NaCl(001) and MgO(001)

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2017-02-0931

OAAI

Comment on First-principles study of the influence of (110)-oriented strain on the ferroelectric properties of rutile TiO2

PHYSICAL REVIEW B

IF3.7

2013-10-0810

OAAI

Different structures give similar vibrational spectra: The case of OH- in aqueous solution

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2013-02-1110

PREAI

Calculation of anharmonic OH phonon dispersion curves for the Mg(OH)2 crystal

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2010-07-213

OAAI

Soft modes in strained and unstrained rutile TiO2

PHYSICAL REVIEW B

IF3.7

2010-04-2151

PREAI

Anharmonic OH vibrations in Mg(OH)2 (brucite): Two-dimensional calculations and crystal-induced blueshift

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2009-12-3119

PREAI

2D calculation of anharmonic OH vibrations in a layered hydroxide crystal

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2008-08-126

PREAI

Effective pair potentials of molten AgBr, CuBr, CuI and RbBr estimated from measured partial structure data

JOURNAL OF NON-CRYSTALLINE SOLIDS

IF3.5

2002-10-018

PREAI

Effective pair potentials of Molten AgBr, CuBr, CuI and RbBr estimated from the experimental partial structure factors

根据实验部分结构因子估算的熔融AgBr，CuBr，CuI和RbBr的有效对势

SCIENCE AND TECHNOLOGY OF ADVANCED MATERIALS

IF6.9

2002-02-050

OAAI