Термодинамические и электронные свойства оксидов и металлов из первых принципов: Объем, поверхность, наноструктуры
Диссертация
Подводя общий итог работы, следует подчеркнуть, что за последние 10−15 лет первопринципное моделирование сделало огромный шаг вперед, становясь необходимым и эффективным инструментом исследования свойств технологически важных материалов. Это произошло благодаря двум основным факторам: созданию эффективных методов расчета и значительному прогрессу в вычислительной технике. Не в последнюю очередь… Читать ещё >
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